N-[2-(2,5-dimethoxyphenyl)ethyl]-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-4-(4-pyridylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-4-(4-pyridylmethyl)-1,4-diazepane-1-carbothioamide Formula: C22H30N4O2S MolecularWeight: 414.5642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CCNC(=S)N2CCCN(CC2)CC3=CC=NC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CCNC(=S)N2CCCN(CC2)CC3=CC=NC=C3

InChI

InChI=1S/C22H30N4O2S/c1-27-20-4-5-21(28-2)19(16-20)8-11-24-22(29)26-13-3-12-25(14-15-26)17-18-6-9-23-10-7-18/h4-7,9-10,16H,3,8,11-15,17H2,1-2H3,(H,24,29)