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

Systemtic Name: N-(2-chlorophenyl)-4-ethanoyl-1,4-diazepane-1-carbothioamide Openeye Name: 4-acetyl-N-(2-chlorophenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-acetyl-N-(2-chlorophenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-acetyl-N-(2-chlorophenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-acetyl-N-(2-chlorophenyl)-1,4-diazepane-1-carbothioamide Formula: C14H18ClN3OS MolecularWeight: 311.83022

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)C(=S)NC2=CC=CC=C2Cl

Isomeric SMILES

CC(=O)N1CCCN(CC1)C(=S)NC2=CC=CC=C2Cl

InChI

InChI=1S/C14H18ClN3OS/c1-11(19)17-7-4-8-18(10-9-17)14(20)16-13-6-3-2-5-12(13)15/h2-3,5-6H,4,7-10H2,1H3,(H,16,20)