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

Systemtic Name: 4-[(6-methylpyridin-2-yl)methyl]-N-(2-morpholin-4-ylethyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-[(6-methyl-2-pyridyl)methyl]-N-(2-morpholinoethyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-[(6-methyl-2-pyridinyl)methyl]-N-[2-(4-morpholinyl)ethyl]-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(6-methylpyridin-2-yl)methyl]-N-(2-morpholin-4-ylethyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-[(6-methyl-2-pyridyl)methyl]-N-(2-morpholinoethyl)-1,4-diazepane-1-carbothioamide Formula: C19H31N5OS MolecularWeight: 377.54734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=S)NCCN3CCOCC3

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=S)NCCN3CCOCC3

InChI

InChI=1S/C19H31N5OS/c1-17-4-2-5-18(21-17)16-23-7-3-8-24(11-10-23)19(26)20-6-9-22-12-14-25-15-13-22/h2,4-5H,3,6-16H2,1H3,(H,20,26)