N-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)piperazine-1-carbothioamide Traditional Name: N-piperonylpiperazine-1-carbothioamide Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CN(CCN1)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H17N3O2S/c19-13(16-5-3-14-4-6-16)15-8-10-1-2-11-12(7-10)18-9-17-11/h1-2,7,14H,3-6,8-9H2,(H,15,19)