N-(1,3-benzodioxol-5-yl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbothioamide Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)C(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)C(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H23N5O2S/c1-21-8-5-19-17(21)12-22-6-2-7-23(10-9-22)18(26)20-14-3-4-15-16(11-14)25-13-24-15/h3-5,8,11H,2,6-7,9-10,12-13H2,1H3,(H,20,26)