N-(2-cyanophenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(2-cyanophenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(2-cyanophenyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-(2-cyanophenyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-cyanophenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(2-cyanophenyl)-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C16H16N6S MolecularWeight: 324.40344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=S)NC3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=S)NC3=CC=CC=C3C#N

InChI

InChI=1S/C16H16N6S/c17-12-13-4-1-2-5-14(13)20-16(23)22-10-8-21(9-11-22)15-18-6-3-7-19-15/h1-7H,8-11H2,(H,20,23)