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

Systemtic Name: 3-[2-(3-aminophenyl)sulfanylbutanoylamino]benzoic acid Openeye Name: 3-[2-(3-aminophenyl)sulfanylbutanoylamino]benzoic acid CAS Name: 3-[[2-[(3-aminophenyl)thio]-1-oxobutyl]amino]benzoic acid IUPAC Name: 3-[2-(3-aminophenyl)sulfanylbutanoylamino]benzoic acid Traditional Name: 3-[2-[(3-aminophenyl)thio]butanoylamino]benzoic acid Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O3S/c1-2-15(23-14-8-4-6-12(18)10-14)16(20)19-13-7-3-5-11(9-13)17(21)22/h3-10,15H,2,18H2,1H3,(H,19,20)(H,21,22)