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

Systemtic Name: N-cyclooctyl-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-cyclooctyl-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-cyclooctyl-4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-cyclooctyl-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: N-cyclooctyl-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbothioamide Formula: C19H33N5S MolecularWeight: 363.56382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)C(=S)NC3CCCCCCC3

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)C(=S)NC3CCCCCCC3

InChI

InChI=1S/C19H33N5S/c1-22-13-10-20-18(22)16-23-11-7-12-24(15-14-23)19(25)21-17-8-5-3-2-4-6-9-17/h10,13,17H,2-9,11-12,14-16H2,1H3,(H,21,25)