N-(3-chloranyl-2-methyl-phenyl)-4-ethanoyl-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(3-chloranyl-2-methyl-phenyl)-4-ethanoyl-1,4-diazepane-1-carbothioamide Openeye Name: 4-acetyl-N-(3-chloro-2-methyl-phenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-acetyl-N-(3-chloro-2-methylphenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-acetyl-N-(3-chloro-2-methylphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-acetyl-N-(3-chloro-2-methyl-phenyl)-1,4-diazepane-1-carbothioamide Formula: C15H20ClN3OS MolecularWeight: 325.8568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=S)N2CCCN(CC2)C(=O)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=S)N2CCCN(CC2)C(=O)C

InChI

InChI=1S/C15H20ClN3OS/c1-11-13(16)5-3-6-14(11)17-15(21)19-8-4-7-18(9-10-19)12(2)20/h3,5-6H,4,7-10H2,1-2H3,(H,17,21)