(2R)-2-methyl-4-(3-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: (2R)-2-methyl-4-(3-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide Openeye Name: (2R)-2-methyl-4-(m-tolyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide CAS Name: (2R)-2-methyl-4-(3-methylphenyl)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: (2R)-2-methyl-4-(3-methylphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide Traditional Name: (2R)-2-methyl-4-(m-tolyl)-N-[4-(2-pyrimidylsulfamoyl)phenyl]piperazine-1-carbothioamide Formula: C23H26N6O2S2 MolecularWeight: 482.62154

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C4=CC=CC(=C4)C

Isomeric SMILES

C[C@@H]1CN(CCN1C(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C4=CC=CC(=C4)C

InChI

InChI=1S/C23H26N6O2S2/c1-17-5-3-6-20(15-17)28-13-14-29(18(2)16-28)23(32)26-19-7-9-21(10-8-19)33(30,31)27-22-24-11-4-12-25-22/h3-12,15,18H,13-14,16H2,1-2H3,(H,26,32)(H,24,25,27)/t18-/m1/s1