N-methyl-7-(4-methylphenyl)-3,4,5,6-tetrahydro-1,2-diazepine-2-carbothioamide

Systemtic Name: N-methyl-7-(4-methylphenyl)-3,4,5,6-tetrahydro-1,2-diazepine-2-carbothioamide Openeye Name: N-methyl-7-(p-tolyl)-3,4,5,6-tetrahydrodiazepine-2-carbothioamide CAS Name: N-methyl-7-(4-methylphenyl)-3,4,5,6-tetrahydrodiazepine-2-carbothioamide IUPAC Name: N-methyl-7-(4-methylphenyl)-3,4,5,6-tetrahydrodiazepine-2-carbothioamide Traditional Name: N-methyl-7-(p-tolyl)-3,4,5,6-tetrahydrodiazepine-2-carbothioamide Formula: C14H19N3S MolecularWeight: 261.38576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(CCCC2)C(=S)NC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(CCCC2)C(=S)NC

InChI

InChI=1S/C14H19N3S/c1-11-6-8-12(9-7-11)13-5-3-4-10-17(16-13)14(18)15-2/h6-9H,3-5,10H2,1-2H3,(H,15,18)