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

Systemtic Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbothioamide Formula: C21H31N5O2S MolecularWeight: 417.56814

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)C(=S)NCCC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)C(=S)NCCC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C21H31N5O2S/c1-24-12-9-22-20(24)16-25-10-4-11-26(14-13-25)21(29)23-8-7-17-15-18(27-2)5-6-19(17)28-3/h5-6,9,12,15H,4,7-8,10-11,13-14,16H2,1-3H3,(H,23,29)