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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-piperonyl-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H19N5O2S/c25-17(20-11-13-2-3-14-15(10-13)24-12-23-14)22-8-6-21(7-9-22)16-18-4-1-5-19-16/h1-5,10H,6-9,11-12H2,(H,20,25)