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

Systemtic Name: 3-[2-[3-[(3-chlorophenyl)carbonylamino]phenyl]sulfanylethanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[[2-[3-[(3-chlorobenzoyl)amino]phenyl]sulfanylacetyl]amino]-4-methyl-benzoic acid CAS Name: 3-[[2-[[3-[[(3-chlorophenyl)-oxomethyl]amino]phenyl]thio]-1-oxoethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[[2-[3-[(3-chlorobenzoyl)amino]phenyl]sulfanylacetyl]amino]-4-methylbenzoic acid Traditional Name: 3-[[2-[[3-[(3-chlorobenzoyl)amino]phenyl]thio]acetyl]amino]-4-methyl-benzoic acid Formula: C23H19ClN2O4S MolecularWeight: 454.92596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CSC2=CC=CC(=C2)NC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C23H19ClN2O4S/c1-14-8-9-16(23(29)30)11-20(14)26-21(27)13-31-19-7-3-6-18(12-19)25-22(28)15-4-2-5-17(24)10-15/h2-12H,13H2,1H3,(H,25,28)(H,26,27)(H,29,30)