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

Systemtic Name: 4-(1,3-benzodioxol-5-yl)-N-methyl-piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-yl)-N-methyl-piperazine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-yl)-N-methyl-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-yl)-N-methylpiperazine-1-carbothioamide Traditional Name: 4-(1,3-benzodioxol-5-yl)-N-methyl-piperazine-1-carbothioamide Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O2S/c1-14-13(19)16-6-4-15(5-7-16)10-2-3-11-12(8-10)18-9-17-11/h2-3,8H,4-7,9H2,1H3,(H,14,19)