4-[(6-methylpyridin-2-yl)methyl]-N-pyridin-3-yl-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-[(6-methylpyridin-2-yl)methyl]-N-pyridin-3-yl-1,4-diazepane-1-carbothioamide Openeye Name: 4-[(6-methyl-2-pyridyl)methyl]-N-(3-pyridyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-[(6-methyl-2-pyridinyl)methyl]-N-(3-pyridinyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(6-methylpyridin-2-yl)methyl]-N-pyridin-3-yl-1,4-diazepane-1-carbothioamide Traditional Name: 4-[(6-methyl-2-pyridyl)methyl]-N-(3-pyridyl)-1,4-diazepane-1-carbothioamide Formula: C18H23N5S MolecularWeight: 341.47372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=S)NC3=CN=CC=C3

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=S)NC3=CN=CC=C3

InChI

InChI=1S/C18H23N5S/c1-15-5-2-6-17(20-15)14-22-9-4-10-23(12-11-22)18(24)21-16-7-3-8-19-13-16/h2-3,5-8,13H,4,9-12,14H2,1H3,(H,21,24)