4-(1,3-benzodioxol-5-ylmethyl)-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[3-(methylthio)propyl]-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide Traditional Name: N-[3-(methylthio)propyl]-4-piperonyl-piperazine-1-carbothioamide Formula: C17H25N3O2S2 MolecularWeight: 367.5293

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CSCCCNC(=S)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H25N3O2S2/c1-24-10-2-5-18-17(23)20-8-6-19(7-9-20)12-14-3-4-15-16(11-14)22-13-21-15/h3-4,11H,2,5-10,12-13H2,1H3,(H,18,23)