4-methyl-N-(2-methylphenyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-methyl-N-(2-methylphenyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-methyl-N-(o-tolyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-methyl-N-(2-methylphenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-methyl-N-(2-methylphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-methyl-N-(o-tolyl)-1,4-diazepane-1-carbothioamide Formula: C14H21N3S MolecularWeight: 263.40164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CCCN(CC2)C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CCCN(CC2)C

InChI

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