3-[2-[3-(butanoylamino)phenyl]sulfanylpropanoylamino]benzoic acid

Systemtic Name: 3-[2-[3-(butanoylamino)phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 3-[2-[3-(butanoylamino)phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 3-[[1-oxo-2-[[3-(1-oxobutylamino)phenyl]thio]propyl]amino]benzoic acid IUPAC Name: 3-[2-[3-(butanoylamino)phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 3-[2-[(3-butyramidophenyl)thio]propanoylamino]benzoic acid Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)SC(C)C(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)SC(C)C(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C20H22N2O4S/c1-3-6-18(23)21-16-9-5-10-17(12-16)27-13(2)19(24)22-15-8-4-7-14(11-15)20(25)26/h4-5,7-13H,3,6H2,1-2H3,(H,21,23)(H,22,24)(H,25,26)