4-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzoic acid

Systemtic Name: 4-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzoic acid Openeye Name: 4-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzoic acid CAS Name: 4-[[3-[(4-chlorophenyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[3-(4-chlorophenyl)sulfanylpropanoylamino]benzoic acid Traditional Name: 4-[3-[(4-chlorophenyl)thio]propanoylamino]benzoic acid Formula: C16H14ClNO3S MolecularWeight: 335.80526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)NC(=O)CCSC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)NC(=O)CCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H14ClNO3S/c17-12-3-7-14(8-4-12)22-10-9-15(19)18-13-5-1-11(2-6-13)16(20)21/h1-8H,9-10H2,(H,18,19)(H,20,21)