methyl 3-[[4-(1-phenylethylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[4-(1-phenylethylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[4-(1-phenylethylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 3-[oxo-[[[4-[oxo-(1-phenylethylamino)methyl]anilino]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(1-phenylethylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[4-(1-phenylethylcarbamoyl)phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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