4-[(6-methylpyridin-2-yl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-[(6-methylpyridin-2-yl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1-carbothioamide Openeye Name: 4-[(6-methyl-2-pyridyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1-carbothioamide CAS Name: 4-[(6-methyl-2-pyridinyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[(6-methylpyridin-2-yl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1-carbothioamide Traditional Name: 4-[(6-methyl-2-pyridyl)methyl]-N-(3,4,5-trimethoxybenzyl)-1,4-diazepane-1-carbothioamide Formula: C23H32N4O3S MolecularWeight: 444.59018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=S)NCC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC1=NC(=CC=C1)CN2CCCN(CC2)C(=S)NCC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C23H32N4O3S/c1-17-7-5-8-19(25-17)16-26-9-6-10-27(12-11-26)23(31)24-15-18-13-20(28-2)22(30-4)21(14-18)29-3/h5,7-8,13-14H,6,9-12,15-16H2,1-4H3,(H,24,31)