N-pyridin-3-yl-4-[3-[1-(pyridin-3-ylcarbamothioyl)piperidin-4-yl]propyl]piperidine-1-carbothioamide

Systemtic Name: N-pyridin-3-yl-4-[3-[1-(pyridin-3-ylcarbamothioyl)piperidin-4-yl]propyl]piperidine-1-carbothioamide Openeye Name: N-(3-pyridyl)-4-[3-[1-(3-pyridylcarbamothioyl)-4-piperidyl]propyl]piperidine-1-carbothioamide CAS Name: N-(3-pyridinyl)-4-[3-[1-[(3-pyridinylamino)-sulfanylidenemethyl]-4-piperidinyl]propyl]-1-piperidinecarbothioamide IUPAC Name: N-pyridin-3-yl-4-[3-[1-(pyridin-3-ylcarbamothioyl)piperidin-4-yl]propyl]piperidine-1-carbothioamide Traditional Name: N-(3-pyridyl)-4-[3-[1-(3-pyridylthiocarbamoyl)-4-piperidyl]propyl]piperidine-1-carbothioamide Formula: C25H34N6S2 MolecularWeight: 482.70766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CCCC2CCN(CC2)C(=S)NC3=CN=CC=C3)C(=S)NC4=CN=CC=C4

Isomeric SMILES

C1CN(CCC1CCCC2CCN(CC2)C(=S)NC3=CN=CC=C3)C(=S)NC4=CN=CC=C4

InChI

InChI=1S/C25H34N6S2/c32-24(28-22-6-2-12-26-18-22)30-14-8-20(9-15-30)4-1-5-21-10-16-31(17-11-21)25(33)29-23-7-3-13-27-19-23/h2-3,6-7,12-13,18-21H,1,4-5,8-11,14-17H2,(H,28,32)(H,29,33)