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

Systemtic Name: 7-(4-chlorophenyl)-N-methyl-3,4,5,6-tetrahydro-1,2-diazepine-2-carbothioamide Openeye Name: 7-(4-chlorophenyl)-N-methyl-3,4,5,6-tetrahydrodiazepine-2-carbothioamide CAS Name: 7-(4-chlorophenyl)-N-methyl-3,4,5,6-tetrahydrodiazepine-2-carbothioamide IUPAC Name: 7-(4-chlorophenyl)-N-methyl-3,4,5,6-tetrahydrodiazepine-2-carbothioamide Traditional Name: 7-(4-chlorophenyl)-N-methyl-3,4,5,6-tetrahydrodiazepine-2-carbothioamide Formula: C13H16ClN3S MolecularWeight: 281.80424

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCCCC(=N1)C2=CC=C(C=C2)Cl

Isomeric SMILES

CNC(=S)N1CCCCC(=N1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H16ClN3S/c1-15-13(18)17-9-3-2-4-12(16-17)10-5-7-11(14)8-6-10/h5-8H,2-4,9H2,1H3,(H,15,18)