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

Systemtic Name: 3-[3-(4-aminophenyl)sulfanylpropanoylamino]benzoic acid Openeye Name: 3-[3-(4-aminophenyl)sulfanylpropanoylamino]benzoic acid CAS Name: 3-[[3-[(4-aminophenyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 3-[3-(4-aminophenyl)sulfanylpropanoylamino]benzoic acid Traditional Name: 3-[3-[(4-aminophenyl)thio]propanoylamino]benzoic acid Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCSC2=CC=C(C=C2)N)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCSC2=CC=C(C=C2)N)C(=O)O

InChI

InChI=1S/C16H16N2O3S/c17-12-4-6-14(7-5-12)22-9-8-15(19)18-13-3-1-2-11(10-13)16(20)21/h1-7,10H,8-9,17H2,(H,18,19)(H,20,21)