methyl 4-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 4-[oxo-[[[2-[oxo-(1-phenylethylamino)methyl]anilino]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1-phenylethylcarbamoyl)phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[2-(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=CC=C2NC(=S)NC(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

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

InChI

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