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

Systemtic Name: 4-[(1-methylimidazol-2-yl)methyl]-N-(4-phenylmethoxyphenyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(4-benzyloxyphenyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: 4-[(1-methyl-2-imidazolyl)methyl]-N-(4-phenylmethoxyphenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(1-methylimidazol-2-yl)methyl]-N-(4-phenylmethoxyphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(4-benzoxyphenyl)-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carbothioamide Formula: C24H29N5OS MolecularWeight: 435.58496

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)C(=S)NC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)C(=S)NC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H29N5OS/c1-27-15-12-25-23(27)18-28-13-5-14-29(17-16-28)24(31)26-21-8-10-22(11-9-21)30-19-20-6-3-2-4-7-20/h2-4,6-12,15H,5,13-14,16-19H2,1H3,(H,26,31)