N-[2-(4-chlorophenyl)ethyl]-4-ethanoyl-1,4-diazepane-1-carbothioamide

Systemtic Name: N-[2-(4-chlorophenyl)ethyl]-4-ethanoyl-1,4-diazepane-1-carbothioamide Openeye Name: 4-acetyl-N-[2-(4-chlorophenyl)ethyl]-1,4-diazepane-1-carbothioamide CAS Name: 4-acetyl-N-[2-(4-chlorophenyl)ethyl]-1,4-diazepane-1-carbothioamide IUPAC Name: 4-acetyl-N-[2-(4-chlorophenyl)ethyl]-1,4-diazepane-1-carbothioamide Traditional Name: 4-acetyl-N-[2-(4-chlorophenyl)ethyl]-1,4-diazepane-1-carbothioamide Formula: C16H22ClN3OS MolecularWeight: 339.88338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C(=S)NCCC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(=O)N1CCCN(CC1)C(=S)NCCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H22ClN3OS/c1-13(21)19-9-2-10-20(12-11-19)16(22)18-8-7-14-3-5-15(17)6-4-14/h3-6H,2,7-12H2,1H3,(H,18,22)