4-pyridin-2-yl-N-[(E)-1-quinolin-2-ylethylideneamino]piperazine-1-carbothioamide

Systemtic Name: 4-pyridin-2-yl-N-[(E)-1-quinolin-2-ylethylideneamino]piperazine-1-carbothioamide Openeye Name: 4-(2-pyridyl)-N-[(E)-1-(2-quinolyl)ethylideneamino]piperazine-1-carbothioamide CAS Name: 4-(2-pyridinyl)-N-[(E)-1-(2-quinolinyl)ethylideneamino]-1-piperazinecarbothioamide IUPAC Name: 4-pyridin-2-yl-N-[(E)-1-quinolin-2-ylethylideneamino]piperazine-1-carbothioamide Traditional Name: 4-(2-pyridyl)-N-[(E)-1-(2-quinolyl)ethylideneamino]piperazine-1-carbothioamide Formula: C21H22N6S MolecularWeight: 390.50458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N1CCN(CC1)C2=CC=CC=N2)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C/C(=N\NC(=S)N1CCN(CC1)C2=CC=CC=N2)/C3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H22N6S/c1-16(18-10-9-17-6-2-3-7-19(17)23-18)24-25-21(28)27-14-12-26(13-15-27)20-8-4-5-11-22-20/h2-11H,12-15H2,1H3,(H,25,28)/b24-16+