methyl 2-[2-[4-(2-phenylethanoylamino)phenyl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[4-(2-phenylethanoylamino)phenyl]sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[1-oxo-2-[[4-[(1-oxo-2-phenylethyl)amino]phenyl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[4-[(2-phenylacetyl)amino]phenyl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[4-[(2-phenylacetyl)amino]phenyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C24H22N2O4S MolecularWeight: 434.50748

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CSC2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CSC2=CC=C(C=C2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C24H22N2O4S/c1-30-24(29)20-9-5-6-10-21(20)26-23(28)16-31-19-13-11-18(12-14-19)25-22(27)15-17-7-3-2-4-8-17/h2-14H,15-16H2,1H3,(H,25,27)(H,26,28)