methyl 4-[[2-(methylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[2-(methylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[2-(methylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[2-(methylcarbamoyl)anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(methylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[2-(methylcarbamoyl)phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C18H17N3O4S MolecularWeight: 371.41028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H17N3O4S/c1-19-16(23)13-5-3-4-6-14(13)20-18(26)21-15(22)11-7-9-12(10-8-11)17(24)25-2/h3-10H,1-2H3,(H,19,23)(H2,20,21,22,26)