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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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