N-[3-(phenylcarbonyl)phenyl]-6-(2-sulfanylethanoylamino)hexanamide

Systemtic Name: N-[3-(phenylcarbonyl)phenyl]-6-(2-sulfanylethanoylamino)hexanamide Openeye Name: N-(3-benzoylphenyl)-6-[(2-sulfanylacetyl)amino]hexanamide CAS Name: N-(3-benzoylphenyl)-6-[(2-mercapto-1-oxoethyl)amino]hexanamide IUPAC Name: N-(3-benzoylphenyl)-6-[(2-sulfanylacetyl)amino]hexanamide Traditional Name: N-(3-benzoylphenyl)-6-[(2-mercaptoacetyl)amino]hexanamide Formula: C21H24N2O3S MolecularWeight: 384.49186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)NC(=O)CCCCCNC(=O)CS

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)NC(=O)CCCCCNC(=O)CS

InChI

InChI=1S/C21H24N2O3S/c24-19(12-5-2-6-13-22-20(25)15-27)23-18-11-7-10-17(14-18)21(26)16-8-3-1-4-9-16/h1,3-4,7-11,14,27H,2,5-6,12-13,15H2,(H,22,25)(H,23,24)