N-(3-ethylphenyl)-4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: N-(3-ethylphenyl)-4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbothioamide Openeye Name: N-(3-ethylphenyl)-4-(2-pyridylmethyl)-1,4-diazepane-1-carbothioamide CAS Name: N-(3-ethylphenyl)-4-(2-pyridinylmethyl)-1,4-diazepane-1-carbothioamide IUPAC Name: N-(3-ethylphenyl)-4-(pyridin-2-ylmethyl)-1,4-diazepane-1-carbothioamide Traditional Name: N-(3-ethylphenyl)-4-(2-pyridylmethyl)-1,4-diazepane-1-carbothioamide Formula: C20H26N4S MolecularWeight: 354.51224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)N2CCCN(CC2)CC3=CC=CC=N3

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)N2CCCN(CC2)CC3=CC=CC=N3

InChI

InChI=1S/C20H26N4S/c1-2-17-7-5-9-18(15-17)22-20(25)24-12-6-11-23(13-14-24)16-19-8-3-4-10-21-19/h3-5,7-10,15H,2,6,11-14,16H2,1H3,(H,22,25)