4-(1,3-benzodioxol-5-ylmethyl)-N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]piperazine-1-carbothioamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]piperazine-1-carbothioamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]piperazine-1-carbothioamide Traditional Name: N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-4-piperonyl-piperazine-1-carbothioamide Formula: C22H28N4O4S2 MolecularWeight: 476.61212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H28N4O4S2/c1-16-4-6-18(32(27,28)24(2)3)13-19(16)23-22(31)26-10-8-25(9-11-26)14-17-5-7-20-21(12-17)30-15-29-20/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,23,31)