3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrazine-2-carbothioamide

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrazine-2-carbothioamide Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrazine-2-carbothioamide CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-pyrazinecarbothioamide IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrazine-2-carbothioamide Traditional Name: 3-(4-piperonylpiperazino)thiopyrazinamide Formula: C17H19N5O2S MolecularWeight: 357.43006

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=CN=C4C(=S)N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=CN=C4C(=S)N

InChI

InChI=1S/C17H19N5O2S/c18-16(25)15-17(20-4-3-19-15)22-7-5-21(6-8-22)10-12-1-2-13-14(9-12)24-11-23-13/h1-4,9H,5-8,10-11H2,(H2,18,25)