N-(2-methylphenyl)azepane-1-carbothioamide

Systemtic Name: N-(2-methylphenyl)azepane-1-carbothioamide Openeye Name: N-(o-tolyl)azepane-1-carbothioamide CAS Name: N-(2-methylphenyl)-1-azepanecarbothioamide IUPAC Name: N-(2-methylphenyl)azepane-1-carbothioamide Traditional Name: N-(o-tolyl)azepane-1-carbothioamide Formula: C14H20N2S MolecularWeight: 248.387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CCCCCC2

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CCCCCC2

InChI

InChI=1S/C14H20N2S/c1-12-8-4-5-9-13(12)15-14(17)16-10-6-2-3-7-11-16/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H,15,17)