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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-methylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(p-tolylsulfonyl)piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-methylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-piperonyl-4-tosyl-piperazine-1-carbothioamide Formula: C20H23N3O4S2 MolecularWeight: 433.54432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

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