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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=CC=CC=C1SCC2=CC(=C(C=C2)NC(=O)CC)C(=O)O

Isomeric SMILES

CCCNC1=CC=CC=C1SCC2=CC(=C(C=C2)NC(=O)CC)C(=O)O

InChI

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