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

Systemtic Name: 4-phenyl-N-[(E)-1-pyridin-2-ylethylideneamino]piperazine-1-carbothioamide Openeye Name: 4-phenyl-N-[(E)-1-(2-pyridyl)ethylideneamino]piperazine-1-carbothioamide CAS Name: 4-phenyl-N-[(E)-1-(2-pyridinyl)ethylideneamino]-1-piperazinecarbothioamide IUPAC Name: 4-phenyl-N-[(E)-1-pyridin-2-ylethylideneamino]piperazine-1-carbothioamide Traditional Name: 4-phenyl-N-[(E)-1-(2-pyridyl)ethylideneamino]piperazine-1-carbothioamide Formula: C18H21N5S MolecularWeight: 339.45784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N1CCN(CC1)C2=CC=CC=C2)C3=CC=CC=N3

Isomeric SMILES

C/C(=N\NC(=S)N1CCN(CC1)C2=CC=CC=C2)/C3=CC=CC=N3

InChI

InChI=1S/C18H21N5S/c1-15(17-9-5-6-10-19-17)20-21-18(24)23-13-11-22(12-14-23)16-7-3-2-4-8-16/h2-10H,11-14H2,1H3,(H,21,24)/b20-15+