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

Systemtic Name: 3-[2-[3-(butanoylamino)phenyl]sulfanylethanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[[2-[3-(butanoylamino)phenyl]sulfanylacetyl]amino]-4-methyl-benzoic acid CAS Name: 4-methyl-3-[[1-oxo-2-[[3-(1-oxobutylamino)phenyl]thio]ethyl]amino]benzoic acid IUPAC Name: 3-[[2-[3-(butanoylamino)phenyl]sulfanylacetyl]amino]-4-methylbenzoic acid Traditional Name: 3-[[2-[(3-butyramidophenyl)thio]acetyl]amino]-4-methyl-benzoic acid Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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