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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-N-prop-2-enyl-piperazine-1-carbothioamide Openeye Name: N-allyl-4-(1,3-benzodioxol-5-yl)piperazine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-yl)-N-prop-2-enyl-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-yl)-N-prop-2-enylpiperazine-1-carbothioamide Traditional Name: N-allyl-4-(1,3-benzodioxol-5-yl)piperazine-1-carbothioamide Formula: C15H19N3O2S MolecularWeight: 305.39526

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)N1CCN(CC1)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C=CCNC(=S)N1CCN(CC1)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H19N3O2S/c1-2-5-16-15(21)18-8-6-17(7-9-18)12-3-4-13-14(10-12)20-11-19-13/h2-4,10H,1,5-9,11H2,(H,16,21)