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

Systemtic Name: 4-[(1-methylimidazol-2-yl)methyl]-N-(2-morpholin-4-ylethyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-[(1-methylimidazol-2-yl)methyl]-N-(2-morpholinoethyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-[(1-methyl-2-imidazolyl)methyl]-N-[2-(4-morpholinyl)ethyl]-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(1-methylimidazol-2-yl)methyl]-N-(2-morpholin-4-ylethyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-[(1-methylimidazol-2-yl)methyl]-N-(2-morpholinoethyl)-1,4-diazepane-1-carbothioamide Formula: C17H30N6OS MolecularWeight: 366.5247

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)C(=S)NCCN3CCOCC3

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)C(=S)NCCN3CCOCC3

InChI

InChI=1S/C17H30N6OS/c1-20-7-3-18-16(20)15-22-5-2-6-23(10-9-22)17(25)19-4-8-21-11-13-24-14-12-21/h3,7H,2,4-6,8-15H2,1H3,(H,19,25)