2-(propanoylamino)-5-[[3-(propylamino)phenyl]sulfanylmethyl]benzoic acid

Systemtic Name: 2-(propanoylamino)-5-[[3-(propylamino)phenyl]sulfanylmethyl]benzoic acid Openeye Name: 2-(propanoylamino)-5-[[3-(propylamino)phenyl]sulfanylmethyl]benzoic acid CAS Name: 2-(1-oxopropylamino)-5-[[[3-(propylamino)phenyl]thio]methyl]benzoic acid IUPAC Name: 2-(propanoylamino)-5-[[3-(propylamino)phenyl]sulfanylmethyl]benzoic acid Traditional Name: 2-propionamido-5-[[[3-(propylamino)phenyl]thio]methyl]benzoic acid Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=CC(=CC=C1)SCC2=CC(=C(C=C2)NC(=O)CC)C(=O)O

Isomeric SMILES

CCCNC1=CC(=CC=C1)SCC2=CC(=C(C=C2)NC(=O)CC)C(=O)O

InChI

InChI=1S/C20H24N2O3S/c1-3-10-21-15-6-5-7-16(12-15)26-13-14-8-9-18(22-19(23)4-2)17(11-14)20(24)25/h5-9,11-12,21H,3-4,10,13H2,1-2H3,(H,22,23)(H,24,25)