3-[2-(4-aminophenyl)sulfanylbutanoylamino]-4-methyl-benzoic acid

Systemtic Name: 3-[2-(4-aminophenyl)sulfanylbutanoylamino]-4-methyl-benzoic acid Openeye Name: 3-[2-(4-aminophenyl)sulfanylbutanoylamino]-4-methyl-benzoic acid CAS Name: 3-[[2-[(4-aminophenyl)thio]-1-oxobutyl]amino]-4-methylbenzoic acid IUPAC Name: 3-[2-(4-aminophenyl)sulfanylbutanoylamino]-4-methylbenzoic acid Traditional Name: 3-[2-[(4-aminophenyl)thio]butanoylamino]-4-methyl-benzoic acid Formula: C18H20N2O3S MolecularWeight: 344.428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)C)SC2=CC=C(C=C2)N

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)C)SC2=CC=C(C=C2)N

InChI

InChI=1S/C18H20N2O3S/c1-3-16(24-14-8-6-13(19)7-9-14)17(21)20-15-10-12(18(22)23)5-4-11(15)2/h4-10,16H,3,19H2,1-2H3,(H,20,21)(H,22,23)