N-(3-cyanophenyl)-4-ethanoyl-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(3-cyanophenyl)-4-ethanoyl-1,4-diazepane-1-carbothioamide Openeye Name: 4-acetyl-N-(3-cyanophenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-acetyl-N-(3-cyanophenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-acetyl-N-(3-cyanophenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-acetyl-N-(3-cyanophenyl)-1,4-diazepane-1-carbothioamide Formula: C15H18N4OS MolecularWeight: 302.39462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C(=S)NC2=CC=CC(=C2)C#N

Isomeric SMILES

CC(=O)N1CCCN(CC1)C(=S)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C15H18N4OS/c1-12(20)18-6-3-7-19(9-8-18)15(21)17-14-5-2-4-13(10-14)11-16/h2,4-5,10H,3,6-9H2,1H3,(H,17,21)