N-(1,3-benzodioxol-5-yl)-2,5-dihydropyrrole-1-carbothioamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2,5-dihydropyrrole-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2,5-dihydropyrrole-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-2,5-dihydropyrrole-1-carbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2,5-dihydropyrrole-1-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-3-pyrroline-1-carbothioamide Formula: C12H12N2O2S MolecularWeight: 248.30088

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCN1C(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1C=CCN1C(=S)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C12H12N2O2S/c17-12(14-5-1-2-6-14)13-9-3-4-10-11(7-9)16-8-15-10/h1-4,7H,5-6,8H2,(H,13,17)