methyl 3-[[3-(2-phenylethanoylamino)phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 3-[[3-(2-phenylethanoylamino)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 3-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 3-[oxo-[[[3-[(1-oxo-2-phenylethyl)amino]anilino]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 3-[[3-[(2-phenylacetyl)amino]phenyl]thiocarbamoylcarbamoyl]benzoic acid methyl ester Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C24H21N3O4S/c1-31-23(30)18-10-5-9-17(14-18)22(29)27-24(32)26-20-12-6-11-19(15-20)25-21(28)13-16-7-3-2-4-8-16/h2-12,14-15H,13H2,1H3,(H,25,28)(H2,26,27,29,32)