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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-[2-(methylthio)phenyl]-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-[2-(methylthio)phenyl]piperazine-1-carbothioamide Formula: C19H21N3O2S2 MolecularWeight: 387.51894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CSC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H21N3O2S2/c1-26-18-5-3-2-4-15(18)21-8-10-22(11-9-21)19(25)20-14-6-7-16-17(12-14)24-13-23-16/h2-7,12H,8-11,13H2,1H3,(H,20,25)