4-(5-cyanopyridin-2-yl)-N-cyclopentyl-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-(5-cyanopyridin-2-yl)-N-cyclopentyl-1,4-diazepane-1-carbothioamide Openeye Name: 4-(5-cyano-2-pyridyl)-N-cyclopentyl-1,4-diazepane-1-carbothioamide CAS Name: 4-(5-cyano-2-pyridinyl)-N-cyclopentyl-1,4-diazepane-1-carbothioamide IUPAC Name: 4-(5-cyanopyridin-2-yl)-N-cyclopentyl-1,4-diazepane-1-carbothioamide Traditional Name: 4-(5-cyano-2-pyridyl)-N-cyclopentyl-1,4-diazepane-1-carbothioamide Formula: C17H23N5S MolecularWeight: 329.46302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=S)N2CCCN(CC2)C3=NC=C(C=C3)C#N

Isomeric SMILES

C1CCC(C1)NC(=S)N2CCCN(CC2)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C17H23N5S/c18-12-14-6-7-16(19-13-14)21-8-3-9-22(11-10-21)17(23)20-15-4-1-2-5-15/h6-7,13,15H,1-5,8-11H2,(H,20,23)