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

Systemtic Name: N-(methoxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-(methoxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-(methoxymethyl)-4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-(methoxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: N-(methoxymethyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbothioamide Formula: C13H23N5OS MolecularWeight: 297.41962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23N5OS/c1-16-7-4-14-12(16)10-17-5-3-6-18(9-8-17)13(20)15-11-19-2/h4,7H,3,5-6,8-11H2,1-2H3,(H,15,20)