N-[4-(2-methylpropylsulfamoyl)phenyl]-4-methylsulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-[4-(2-methylpropylsulfamoyl)phenyl]-4-methylsulfonyl-piperazine-1-carbothioamide Openeye Name: N-[4-(isobutylsulfamoyl)phenyl]-4-methylsulfonyl-piperazine-1-carbothioamide CAS Name: N-[4-(2-methylpropylsulfamoyl)phenyl]-4-methylsulfonyl-1-piperazinecarbothioamide IUPAC Name: N-[4-(2-methylpropylsulfamoyl)phenyl]-4-methylsulfonylpiperazine-1-carbothioamide Traditional Name: N-[4-(isobutylsulfamoyl)phenyl]-4-mesyl-piperazine-1-carbothioamide Formula: C16H26N4O4S3 MolecularWeight: 434.59704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNS(=O)(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC(C)CNS(=O)(=O)C1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C16H26N4O4S3/c1-13(2)12-17-27(23,24)15-6-4-14(5-7-15)18-16(25)19-8-10-20(11-9-19)26(3,21)22/h4-7,13,17H,8-12H2,1-3H3,(H,18,25)