N-(2-chloranyl-4-methyl-phenyl)-4-ethanoyl-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(2-chloranyl-4-methyl-phenyl)-4-ethanoyl-1,4-diazepane-1-carbothioamide Openeye Name: 4-acetyl-N-(2-chloro-4-methyl-phenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-acetyl-N-(2-chloro-4-methylphenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-acetyl-N-(2-chloro-4-methylphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-acetyl-N-(2-chloro-4-methyl-phenyl)-1,4-diazepane-1-carbothioamide Formula: C15H20ClN3OS MolecularWeight: 325.8568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)N2CCCN(CC2)C(=O)C)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)N2CCCN(CC2)C(=O)C)Cl

InChI

InChI=1S/C15H20ClN3OS/c1-11-4-5-14(13(16)10-11)17-15(21)19-7-3-6-18(8-9-19)12(2)20/h4-5,10H,3,6-9H2,1-2H3,(H,17,21)