methyl 4-[[3-[(3-methylphenyl)carbamoyl]phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[3-[(3-methylphenyl)carbamoyl]phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[3-(m-tolylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[3-[(3-methylanilino)-oxomethyl]anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-[(3-methylphenyl)carbamoyl]phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[3-(m-tolylcarbamoyl)phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C24H21N3O4S/c1-15-5-3-7-19(13-15)25-22(29)18-6-4-8-20(14-18)26-24(32)27-21(28)16-9-11-17(12-10-16)23(30)31-2/h3-14H,1-2H3,(H,25,29)(H2,26,27,28,32)