N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane-1-carbothioamide Formula: C21H27ClN4O2S MolecularWeight: 434.98268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=S)NC3=CC(=C(C=C3OC)Cl)OC

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=S)NC3=CC(=C(C=C3OC)Cl)OC

InChI

InChI=1S/C21H27ClN4O2S/c1-15-6-4-7-16(23-15)14-25-8-5-9-26(11-10-25)21(29)24-18-13-19(27-2)17(22)12-20(18)28-3/h4,6-7,12-13H,5,8-11,14H2,1-3H3,(H,24,29)