methyl 4-[[3-(2-phenylethanoylamino)phenyl]carbamothioylcarbamoyl]benzoate

Systemtic Name: methyl 4-[[3-(2-phenylethanoylamino)phenyl]carbamothioylcarbamoyl]benzoate Openeye Name: methyl 4-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioylcarbamoyl]benzoate CAS Name: 4-[oxo-[[[3-[(1-oxo-2-phenylethyl)amino]anilino]-sulfanylidenemethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioylcarbamoyl]benzoate Traditional Name: 4-[[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=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

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