3-[2-(phenylmethylsulfanyl)butanoylamino]benzoic acid

Systemtic Name: 3-[2-(phenylmethylsulfanyl)butanoylamino]benzoic acid Openeye Name: 3-(2-benzylsulfanylbutanoylamino)benzoic acid CAS Name: 3-[[1-oxo-2-(phenylmethylthio)butyl]amino]benzoic acid IUPAC Name: 3-(2-benzylsulfanylbutanoylamino)benzoic acid Traditional Name: 3-[2-(benzylthio)butanoylamino]benzoic acid Formula: C18H19NO3S MolecularWeight: 329.41336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)SCC2=CC=CC=C2

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)SCC2=CC=CC=C2

InChI

InChI=1S/C18H19NO3S/c1-2-16(23-12-13-7-4-3-5-8-13)17(20)19-15-10-6-9-14(11-15)18(21)22/h3-11,16H,2,12H2,1H3,(H,19,20)(H,21,22)