methyl 4-[[2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylphenyl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylphenyl]carbonylamino]benzoate Openeye Name: methyl 4-[[2-[2-(isopropylamino)-2-oxo-ethyl]sulfanylbenzoyl]amino]benzoate CAS Name: 4-[[oxo-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]phenyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoyl]amino]benzoate Traditional Name: 4-[[2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzoyl]amino]benzoic acid methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H22N2O4S/c1-13(2)21-18(23)12-27-17-7-5-4-6-16(17)19(24)22-15-10-8-14(9-11-15)20(25)26-3/h4-11,13H,12H2,1-3H3,(H,21,23)(H,22,24)