N-cyclooctyl-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane-1-carbothioamide

Systemtic Name: N-cyclooctyl-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-cyclooctyl-4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-cyclooctyl-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-cyclooctyl-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: N-cyclooctyl-4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane-1-carbothioamide Formula: C21H34N4S MolecularWeight: 374.58646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=S)NC3CCCCCCC3

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=S)NC3CCCCCCC3

InChI

InChI=1S/C21H34N4S/c1-18-9-7-12-20(22-18)17-24-13-8-14-25(16-15-24)21(26)23-19-10-5-3-2-4-6-11-19/h7,9,12,19H,2-6,8,10-11,13-17H2,1H3,(H,23,26)