N-(3-methylphenyl)azepane-1-carbothioamide

Systemtic Name: N-(3-methylphenyl)azepane-1-carbothioamide Openeye Name: N-(m-tolyl)azepane-1-carbothioamide CAS Name: N-(3-methylphenyl)-1-azepanecarbothioamide IUPAC Name: N-(3-methylphenyl)azepane-1-carbothioamide Traditional Name: N-(m-tolyl)azepane-1-carbothioamide Formula: C14H20N2S MolecularWeight: 248.387

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N2CCCCCC2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N2CCCCCC2

InChI

InChI=1S/C14H20N2S/c1-12-7-6-8-13(11-12)15-14(17)16-9-4-2-3-5-10-16/h6-8,11H,2-5,9-10H2,1H3,(H,15,17)