N-(2-cyanophenyl)-4-ethanoyl-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(2-cyanophenyl)-4-ethanoyl-1,4-diazepane-1-carbothioamide Openeye Name: 4-acetyl-N-(2-cyanophenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-acetyl-N-(2-cyanophenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-acetyl-N-(2-cyanophenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-acetyl-N-(2-cyanophenyl)-1,4-diazepane-1-carbothioamide Formula: C15H18N4OS MolecularWeight: 302.39462

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C(=S)NC2=CC=CC=C2C#N

Isomeric SMILES

CC(=O)N1CCCN(CC1)C(=S)NC2=CC=CC=C2C#N

InChI

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