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

Systemtic Name: 4-[(1-methylimidazol-2-yl)methyl]-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-[(1-methylimidazol-2-yl)methyl]-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-[(1-methyl-2-imidazolyl)methyl]-N-[2-(methylthio)phenyl]-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(1-methylimidazol-2-yl)methyl]-N-(2-methylsulfanylphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-[(1-methylimidazol-2-yl)methyl]-N-[2-(methylthio)phenyl]-1,4-diazepane-1-carbothioamide Formula: C18H25N5S2 MolecularWeight: 375.5546

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)C(=S)NC3=CC=CC=C3SC

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)C(=S)NC3=CC=CC=C3SC

InChI

InChI=1S/C18H25N5S2/c1-21-11-8-19-17(21)14-22-9-5-10-23(13-12-22)18(24)20-15-6-3-4-7-16(15)25-2/h3-4,6-8,11H,5,9-10,12-14H2,1-2H3,(H,20,24)