N-(1,3-benzodioxol-5-yl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C16H17N5O2S/c24-16(19-12-2-3-13-14(10-12)23-11-22-13)21-8-6-20(7-9-21)15-17-4-1-5-18-15/h1-5,10H,6-9,11H2,(H,19,24)