2-[[3-methyl-4-(2-phenylsulfanylethanoylamino)phenyl]carbonylamino]benzoic acid

Systemtic Name: 2-[[3-methyl-4-(2-phenylsulfanylethanoylamino)phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[3-methyl-4-[(2-phenylsulfanylacetyl)amino]benzoyl]amino]benzoic acid CAS Name: 2-[[[3-methyl-4-[[1-oxo-2-(phenylthio)ethyl]amino]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[3-methyl-4-[(2-phenylsulfanylacetyl)amino]benzoyl]amino]benzoic acid Traditional Name: 2-[[3-methyl-4-[[2-(phenylthio)acetyl]amino]benzoyl]amino]benzoic acid Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)O)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2C(=O)O)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C23H20N2O4S/c1-15-13-16(22(27)25-20-10-6-5-9-18(20)23(28)29)11-12-19(15)24-21(26)14-30-17-7-3-2-4-8-17/h2-13H,14H2,1H3,(H,24,26)(H,25,27)(H,28,29)