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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(5-cyanopyridin-2-yl)piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(5-cyano-2-pyridyl)piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(5-cyano-2-pyridinyl)-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(5-cyanopyridin-2-yl)piperazine-1-carbothioamide Traditional Name: 4-(5-cyano-2-pyridyl)-N-piperonyl-piperazine-1-carbothioamide Formula: C19H19N5O2S MolecularWeight: 381.45146

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C#N)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C#N)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H19N5O2S/c20-10-15-2-4-18(21-12-15)23-5-7-24(8-6-23)19(27)22-11-14-1-3-16-17(9-14)26-13-25-16/h1-4,9,12H,5-8,11,13H2,(H,22,27)