4-[(1-methylimidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-[(1-methylimidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-[(1-methylimidazol-2-yl)methyl]-N-(tetrahydrofuran-2-ylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-[(1-methyl-2-imidazolyl)methyl]-N-(2-oxolanylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(1-methylimidazol-2-yl)methyl]-N-(oxolan-2-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-[(1-methylimidazol-2-yl)methyl]-N-(tetrahydrofurfuryl)-1,4-diazepane-1-carbothioamide Formula: C16H27N5OS MolecularWeight: 337.48348

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)C(=S)NCC3CCCO3

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)C(=S)NCC3CCCO3

InChI

InChI=1S/C16H27N5OS/c1-19-8-5-17-15(19)13-20-6-3-7-21(10-9-20)16(23)18-12-14-4-2-11-22-14/h5,8,14H,2-4,6-7,9-13H2,1H3,(H,18,23)