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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-methanoyl-piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-formyl-piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-formyl-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-formylpiperazine-1-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-formyl-piperazine-1-carbothioamide Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=O)C(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CN(CCN1C=O)C(=S)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H15N3O3S/c17-8-15-3-5-16(6-4-15)13(20)14-10-1-2-11-12(7-10)19-9-18-11/h1-2,7-8H,3-6,9H2,(H,14,20)