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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-[2-(methylthio)phenyl]-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide Traditional Name: 4-[2-(methylthio)phenyl]-N-piperonyl-piperazine-1-carbothioamide Formula: C20H23N3O2S2 MolecularWeight: 401.54552

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1N2CCN(CC2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CSC1=CC=CC=C1N2CCN(CC2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H23N3O2S2/c1-27-19-5-3-2-4-16(19)22-8-10-23(11-9-22)20(26)21-13-15-6-7-17-18(12-15)25-14-24-17/h2-7,12H,8-11,13-14H2,1H3,(H,21,26)