Name: Name:4-[Bis (2-thiocarboxamidobenzyl)amino]-benzthiocarboxamide
Brand: Angene
SKU: AG01F70X
Rating: 90 (10 reviews)

4-[Bis (2-thiocarboxamidobenzyl)amino]-benzthiocarboxamide

CAS No.:

1256483-08-5

Catalog Number:

AG01F70X

Molecular Formula:

C23H22N4S3

Molecular Weight:

450.6426

Catalog Number:

AG01F70X

Chemical Name:

4-[Bis (2-thiocarboxamidobenzyl)amino]-benzthiocarboxamide

CAS Number:

1256483-08-5

Molecular Formula:

C23H22N4S3

Molecular Weight:

450.6426

MDL Number:

MFCD16658875

IUPAC Name:

2-[[4-carbamothioyl-N-[(2-carbamothioylphenyl)methyl]anilino]methyl]benzenecarbothioamide

InChI:

InChI=1S/C23H22N4S3/c24-21(28)15-9-11-18(12-10-15)27(13-16-5-1-3-7-19(16)22(25)29)14-17-6-2-4-8-20(17)23(26)30/h1-12H,13-14H2,(H2,24,28)(H2,25,29)(H2,26,30)

InChI Key:

QOGKJGLCAGWHFL-UHFFFAOYSA-N

SMILES:

NC(=S)c1ccc(cc1)N(Cc1ccccc1C(=S)N)Cc1ccccc1C(=S)N

Complexity:

582

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

450.101g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

450.637g/mol

Monoisotopic Mass:

450.101g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

178A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.5