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

Systemtic Name: 4-[(1-methylimidazol-2-yl)methyl]-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-[(1-methylimidazol-2-yl)methyl]-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-[(1-methyl-2-imidazolyl)methyl]-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(1-methylimidazol-2-yl)methyl]-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-[(1-methylimidazol-2-yl)methyl]-N-(2,4,5-trimethylphenyl)-1,4-diazepane-1-carbothioamide Formula: C20H29N5S MolecularWeight: 371.54276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)NC(=S)N2CCCN(CC2)CC3=NC=CN3C)C

Isomeric SMILES

CC1=CC(=C(C=C1C)NC(=S)N2CCCN(CC2)CC3=NC=CN3C)C

InChI

InChI=1S/C20H29N5S/c1-15-12-17(3)18(13-16(15)2)22-20(26)25-8-5-7-24(10-11-25)14-19-21-6-9-23(19)4/h6,9,12-13H,5,7-8,10-11,14H2,1-4H3,(H,22,26)