4-(2-ethoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide

Systemtic Name: 4-(2-ethoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide Openeye Name: 4-(2-ethoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-(2-ethoxyphenyl)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(2-ethoxyphenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-o-phenetyl-N-[4-(2-pyrimidylsulfamoyl)phenyl]piperazine-1-carbothioamide Formula: C23H26N6O3S2 MolecularWeight: 498.62094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

InChI

InChI=1S/C23H26N6O3S2/c1-2-32-21-7-4-3-6-20(21)28-14-16-29(17-15-28)23(33)26-18-8-10-19(11-9-18)34(30,31)27-22-24-12-5-13-25-22/h3-13H,2,14-17H2,1H3,(H,26,33)(H,24,25,27)