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

Systemtic Name: 4-[(1-methylimidazol-2-yl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: 4-[(1-methylimidazol-2-yl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: 4-[(1-methyl-2-imidazolyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(1-methylimidazol-2-yl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: 4-[(1-methylimidazol-2-yl)methyl]-N-(3,4,5-trimethoxybenzyl)-1,4-diazepane-1-carbothioamide Formula: C21H31N5O3S MolecularWeight: 433.56754

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)C(=S)NCC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)C(=S)NCC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C21H31N5O3S/c1-24-9-6-22-19(24)15-25-7-5-8-26(11-10-25)21(30)23-14-16-12-17(27-2)20(29-4)18(13-16)28-3/h6,9,12-13H,5,7-8,10-11,14-15H2,1-4H3,(H,23,30)