3-(3,4-dimethylphenyl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide

Systemtic Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide Openeye Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide CAS Name: 3-[(3,4-dimethylphenyl)thio]-N-[4-(2-pyrimidinylsulfamoyl)phenyl]propanamide IUPAC Name: 3-(3,4-dimethylphenyl)sulfanyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]propanamide Traditional Name: 3-[(3,4-dimethylphenyl)thio]-N-[4-(2-pyrimidylsulfamoyl)phenyl]propionamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)C

InChI

InChI=1S/C21H22N4O3S2/c1-15-4-7-18(14-16(15)2)29-13-10-20(26)24-17-5-8-19(9-6-17)30(27,28)25-21-22-11-3-12-23-21/h3-9,11-12,14H,10,13H2,1-2H3,(H,24,26)(H,22,23,25)