methyl 4-[[4-[(2-methylphenyl)carbonylamino]phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[4-[(2-methylphenyl)carbonylamino]phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[4-[(2-methylbenzoyl)amino]phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[4-[[(2-methylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-[(2-methylbenzoyl)amino]phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[4-(o-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=C1C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

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