N-butyl-4-pyridin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-butyl-4-pyridin-2-yl-piperazine-1-carbothioamide Openeye Name: N-butyl-4-(2-pyridyl)piperazine-1-carbothioamide CAS Name: N-butyl-4-(2-pyridinyl)-1-piperazinecarbothioamide IUPAC Name: N-butyl-4-pyridin-2-ylpiperazine-1-carbothioamide Traditional Name: N-butyl-4-(2-pyridyl)piperazine-1-carbothioamide Formula: C14H22N4S MolecularWeight: 278.41628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CCN(CC1)C2=CC=CC=N2

Isomeric SMILES

CCCCNC(=S)N1CCN(CC1)C2=CC=CC=N2

InChI

InChI=1S/C14H22N4S/c1-2-3-7-16-14(19)18-11-9-17(10-12-18)13-6-4-5-8-15-13/h4-6,8H,2-3,7,9-12H2,1H3,(H,16,19)