methyl 4-[[2-[methyl-(phenylmethyl)carbamoyl]phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[2-[methyl-(phenylmethyl)carbamoyl]phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[2-[benzyl(methyl)carbamoyl]phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 4-[[[[2-[[methyl-(phenylmethyl)amino]-oxomethyl]anilino]-sulfanylidenemethyl]amino]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[benzyl(methyl)carbamoyl]phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[2-[benzyl(methyl)carbamoyl]phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2NC(=S)NC(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C25H23N3O4S/c1-28(16-17-8-4-3-5-9-17)23(30)20-10-6-7-11-21(20)26-25(33)27-22(29)18-12-14-19(15-13-18)24(31)32-2/h3-15H,16H2,1-2H3,(H2,26,27,29,33)