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

Systemtic Name: 4-pyridin-2-yl-N-[(E)-1-pyrimidin-2-ylethylideneamino]piperazine-1-carbothioamide Openeye Name: 4-(2-pyridyl)-N-[(E)-1-pyrimidin-2-ylethylideneamino]piperazine-1-carbothioamide CAS Name: 4-(2-pyridinyl)-N-[(E)-1-(2-pyrimidinyl)ethylideneamino]-1-piperazinecarbothioamide IUPAC Name: 4-pyridin-2-yl-N-[(E)-1-pyrimidin-2-ylethylideneamino]piperazine-1-carbothioamide Traditional Name: 4-(2-pyridyl)-N-[(E)-1-(2-pyrimidyl)ethylideneamino]piperazine-1-carbothioamide Formula: C16H19N7S MolecularWeight: 341.43396

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N1CCN(CC1)C2=CC=CC=N2)C3=NC=CC=N3

Isomeric SMILES

C/C(=N\NC(=S)N1CCN(CC1)C2=CC=CC=N2)/C3=NC=CC=N3

InChI

InChI=1S/C16H19N7S/c1-13(15-18-7-4-8-19-15)20-21-16(24)23-11-9-22(10-12-23)14-5-2-3-6-17-14/h2-8H,9-12H2,1H3,(H,21,24)/b20-13+