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

Systemtic Name: methyl 3-[[4-[(3-methylphenyl)carbonylamino]phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[4-[(3-methylbenzoyl)amino]phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 3-[[[[4-[[(3-methylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-[(3-methylbenzoyl)amino]phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[4-(m-toluoylamino)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)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)C(=O)OC

InChI

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