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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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