4-methyl-N-(3-methylphenyl)-1,4-diazepan-4-ium-1-carbothioamide

Systemtic Name: 4-methyl-N-(3-methylphenyl)-1,4-diazepan-4-ium-1-carbothioamide Openeye Name: 4-methyl-N-(m-tolyl)-1,4-diazepan-4-ium-1-carbothioamide CAS Name: 4-methyl-N-(3-methylphenyl)-1,4-diazepan-4-ium-1-carbothioamide IUPAC Name: 4-methyl-N-(3-methylphenyl)-1,4-diazepan-4-ium-1-carbothioamide Traditional Name: 4-methyl-N-(m-tolyl)-1,4-diazepan-4-ium-1-carbothioamide Formula: C14H22N3S+ MolecularWeight: 264.40958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=S)N2CCC[NH+](CC2)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=S)N2CCC[NH+](CC2)C

InChI

InChI=1S/C14H21N3S/c1-12-5-3-6-13(11-12)15-14(18)17-8-4-7-16(2)9-10-17/h3,5-6,11H,4,7-10H2,1-2H3,(H,15,18)/p+1