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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-methylsulfonylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-methylsulfonylphenyl)piperazine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-methylsulfonylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-methylsulfonylphenyl)piperazine-1-carbothioamide Traditional Name: N-(4-mesylphenyl)-4-piperonyl-piperazine-1-carbothioamide Formula: C20H23N3O4S2 MolecularWeight: 433.54432

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H23N3O4S2/c1-29(24,25)17-5-3-16(4-6-17)21-20(28)23-10-8-22(9-11-23)13-15-2-7-18-19(12-15)27-14-26-18/h2-7,12H,8-11,13-14H2,1H3,(H,21,28)