Name: Name:2-carbamothioyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Brand: Angene
SKU: AG01BFLM
Rating: 90 (10 reviews)

2-carbamothioyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

CAS No.:

1038973-12-4

Catalog Number:

AG01BFLM

Molecular Formula:

C13H18N2O3S

Molecular Weight:

282.3586

Catalog Number:

AG01BFLM

Chemical Name:

2-carbamothioyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

CAS Number:

1038973-12-4

Molecular Formula:

C13H18N2O3S

Molecular Weight:

282.3586

MDL Number:

MFCD12559497

IUPAC Name:

3-amino-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-sulfanylidenepropanamide

InChI:

InChI=1S/C13H18N2O3S/c1-17-10-4-3-9(7-11(10)18-2)5-6-15-13(16)8-12(14)19/h3-4,7H,5-6,8H2,1-2H3,(H2,14,19)(H,15,16)

InChI Key:

LCXRKNSMBVVMON-UHFFFAOYSA-N

SMILES:

COc1cc(CCNC(=O)CC(=S)N)ccc1OC

Complexity:

312

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

282.104g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

282.358g/mol

Monoisotopic Mass:

282.104g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

106A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7