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

Systemtic Name: N-(3-chlorophenyl)-4-ethanoyl-1,4-diazepane-1-carbothioamide Openeye Name: 4-acetyl-N-(3-chlorophenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-acetyl-N-(3-chlorophenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-acetyl-N-(3-chlorophenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-acetyl-N-(3-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=C2)Cl

Isomeric SMILES

CC(=O)N1CCCN(CC1)C(=S)NC2=CC(=CC=C2)Cl

InChI

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