N-(3-chloranyl-4-methyl-phenyl)azepane-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)azepane-1-carbothioamide Openeye Name: N-(3-chloro-4-methyl-phenyl)azepane-1-carbothioamide CAS Name: N-(3-chloro-4-methylphenyl)-1-azepanecarbothioamide IUPAC Name: N-(3-chloro-4-methylphenyl)azepane-1-carbothioamide Traditional Name: N-(3-chloro-4-methyl-phenyl)azepane-1-carbothioamide Formula: C14H19ClN2S MolecularWeight: 282.83206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCCCCC2)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCCCCC2)Cl

InChI

InChI=1S/C14H19ClN2S/c1-11-6-7-12(10-13(11)15)16-14(18)17-8-4-2-3-5-9-17/h6-7,10H,2-5,8-9H2,1H3,(H,16,18)