N-[2-(cyclohexen-1-yl)ethyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbothioamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbothioamide Formula: C19H31N5S MolecularWeight: 361.54794

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)C(=S)NCCC3=CCCCC3

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)C(=S)NCCC3=CCCCC3

InChI

InChI=1S/C19H31N5S/c1-22-13-10-20-18(22)16-23-11-5-12-24(15-14-23)19(25)21-9-8-17-6-3-2-4-7-17/h6,10,13H,2-5,7-9,11-12,14-16H2,1H3,(H,21,25)