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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(5-cyanopyridin-2-yl)piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(5-cyano-2-pyridyl)piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-(5-cyano-2-pyridinyl)-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(5-cyanopyridin-2-yl)piperazine-1-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-(5-cyano-2-pyridyl)piperazine-1-carbothioamide Formula: C18H17N5O2S MolecularWeight: 367.42488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)C#N)C(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)C#N)C(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H17N5O2S/c19-10-13-1-4-17(20-11-13)22-5-7-23(8-6-22)18(26)21-14-2-3-15-16(9-14)25-12-24-15/h1-4,9,11H,5-8,12H2,(H,21,26)