N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-4-pyrimidin-2-yl-piperazine-1-carbothioamide

Systemtic Name: N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-4-pyrimidin-2-yl-piperazine-1-carbothioamide Openeye Name: N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-4-pyrimidin-2-yl-piperazine-1-carbothioamide CAS Name: N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-(2-pyrimidinyl)-1-piperazinecarbothioamide IUPAC Name: N-[5-(dimethylsulfamoyl)-2-methylphenyl]-4-pyrimidin-2-ylpiperazine-1-carbothioamide Traditional Name: N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-4-(2-pyrimidyl)piperazine-1-carbothioamide Formula: C18H24N6O2S2 MolecularWeight: 420.55216

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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)C3=NC=CC=N3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C18H24N6O2S2/c1-14-5-6-15(28(25,26)22(2)3)13-16(14)21-18(27)24-11-9-23(10-12-24)17-19-7-4-8-20-17/h4-8,13H,9-12H2,1-3H3,(H,21,27)