3-[2-[4-(butanoylamino)phenyl]sulfanylpropanoylamino]benzoic acid

Systemtic Name: 3-[2-[4-(butanoylamino)phenyl]sulfanylpropanoylamino]benzoic acid Openeye Name: 3-[2-[4-(butanoylamino)phenyl]sulfanylpropanoylamino]benzoic acid CAS Name: 3-[[1-oxo-2-[[4-(1-oxobutylamino)phenyl]thio]propyl]amino]benzoic acid IUPAC Name: 3-[2-[4-(butanoylamino)phenyl]sulfanylpropanoylamino]benzoic acid Traditional Name: 3-[2-[(4-butyramidophenyl)thio]propanoylamino]benzoic acid Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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