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

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane-1-carbothioamide Formula: C21H32N4S MolecularWeight: 372.57058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=S)NCCC3=CCCCC3

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=S)NCCC3=CCCCC3

InChI

InChI=1S/C21H32N4S/c1-18-7-5-10-20(23-18)17-24-13-6-14-25(16-15-24)21(26)22-12-11-19-8-3-2-4-9-19/h5,7-8,10H,2-4,6,9,11-17H2,1H3,(H,22,26)