N-(2-ethoxyphenyl)-4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(2-ethoxyphenyl)-4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(2-ethoxyphenyl)-4-(2-pyridylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-(2-ethoxyphenyl)-4-(2-pyridinylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(2-ethoxyphenyl)-4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-o-phenetyl-4-(2-pyridylmethyl)-1,4-diazepane-1-carbothioamide Formula: C20H26N4OS MolecularWeight: 370.51164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)N2CCCN(CC2)CC3=CC=CC=N3

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)N2CCCN(CC2)CC3=CC=CC=N3

InChI

InChI=1S/C20H26N4OS/c1-2-25-19-10-4-3-9-18(19)22-20(26)24-13-7-12-23(14-15-24)16-17-8-5-6-11-21-17/h3-6,8-11H,2,7,12-16H2,1H3,(H,22,26)