Name: Name:N-{2-[5-(2H-1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl}-2-chloroacetamide
Brand: Angene
SKU: AG019OG4
Rating: 90 (10 reviews)

N-{2-[5-(2H-1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl}-2-chloroacetamide

CAS No.:

885524-38-9

Catalog Number:

AG019OG4

Molecular Formula:

C15H13ClN2O4S2

Molecular Weight:

384.8577

Catalog Number:

AG019OG4

Chemical Name:

N-{2-[5-(2H-1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl}-2-chloroacetamide

CAS Number:

885524-38-9

Molecular Formula:

C15H13ClN2O4S2

Molecular Weight:

384.8577

MDL Number:

MFCD07366320

IUPAC Name:

N-[2-[5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]ethyl]-2-chloroacetamide

InChI:

InChI=1S/C15H13ClN2O4S2/c16-7-13(19)17-3-4-18-14(20)12(24-15(18)23)6-9-1-2-10-11(5-9)22-8-21-10/h1-2,5-6H,3-4,7-8H2,(H,17,19)

InChI Key:

ANVRVZKVHALZLN-UHFFFAOYSA-N

SMILES:

ClCC(=O)NCCN1C(=S)SC(=Cc2ccc3c(c2)OCO3)C1=O

Complexity:

572

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

384.001g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

384.849g/mol

Monoisotopic Mass:

384.001g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

125A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7