4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylpropyl)piperazine-1-carbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylpropyl)piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-isobutyl-piperazine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylpropyl)-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-methylpropyl)piperazine-1-carbothioamide Traditional Name: N-isobutyl-4-piperonyl-piperazine-1-carbothioamide Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=S)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)CNC(=S)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H25N3O2S/c1-13(2)10-18-17(23)20-7-5-19(6-8-20)11-14-3-4-15-16(9-14)22-12-21-15/h3-4,9,13H,5-8,10-12H2,1-2H3,(H,18,23)