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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-4-(4-methylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(1,3-benzodioxol-5-yl)-4-(p-tolylsulfonyl)piperazine-1-carbothioamide CAS Name: N-(1,3-benzodioxol-5-yl)-4-(4-methylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-4-(4-methylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(1,3-benzodioxol-5-yl)-4-tosyl-piperazine-1-carbothioamide Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H21N3O4S2/c1-14-2-5-16(6-3-14)28(23,24)22-10-8-21(9-11-22)19(27)20-15-4-7-17-18(12-15)26-13-25-17/h2-7,12H,8-11,13H2,1H3,(H,20,27)