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

Systemtic Name: 2-(propanoylamino)-5-[2-(propylamino)phenyl]sulfanyl-benzoic acid Openeye Name: 2-(propanoylamino)-5-[2-(propylamino)phenyl]sulfanyl-benzoic acid CAS Name: 2-(1-oxopropylamino)-5-[[2-(propylamino)phenyl]thio]benzoic acid IUPAC Name: 2-(propanoylamino)-5-[2-(propylamino)phenyl]sulfanylbenzoic acid Traditional Name: 2-propionamido-5-[[2-(propylamino)phenyl]thio]benzoic acid Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=CC=CC=C1SC2=CC(=C(C=C2)NC(=O)CC)C(=O)O

Isomeric SMILES

CCCNC1=CC=CC=C1SC2=CC(=C(C=C2)NC(=O)CC)C(=O)O

InChI

InChI=1S/C19H22N2O3S/c1-3-11-20-16-7-5-6-8-17(16)25-13-9-10-15(21-18(22)4-2)14(12-13)19(23)24/h5-10,12,20H,3-4,11H2,1-2H3,(H,21,22)(H,23,24)