2-acetamido-6-isothiocyanato-N-(phenylmethyl)hexanamide

Systemtic Name: 2-acetamido-6-isothiocyanato-N-(phenylmethyl)hexanamide Openeye Name: 2-acetamido-N-benzyl-6-isothiocyanato-hexanamide CAS Name: 2-acetamido-6-isothiocyanato-N-(phenylmethyl)hexanamide IUPAC Name: 2-acetamido-N-benzyl-6-isothiocyanatohexanamide Traditional Name: 2-acetamido-N-benzyl-6-isothiocyanato-hexanamide Formula: C16H21N3O2S MolecularWeight: 319.42184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCCN=C=S)C(=O)NCC1=CC=CC=C1

Isomeric SMILES

CC(=O)NC(CCCCN=C=S)C(=O)NCC1=CC=CC=C1

InChI

InChI=1S/C16H21N3O2S/c1-13(20)19-15(9-5-6-10-17-12-22)16(21)18-11-14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-11H2,1H3,(H,18,21)(H,19,20)