5-chloranyl-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-propylsulfanyl-pyrimidine-4-carboxamide

Systemtic Name: 5-chloranyl-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-propylsulfanyl-pyrimidine-4-carboxamide Openeye Name: 5-chloro-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-propylsulfanyl-pyrimidine-4-carboxamide CAS Name: 5-chloro-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-(propylthio)-4-pyrimidinecarboxamide IUPAC Name: 5-chloro-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-propylsulfanylpyrimidine-4-carboxamide Traditional Name: 5-chloro-N-[4-[ethyl(phenyl)sulfamoyl]phenyl]-2-(propylthio)pyrimidine-4-carboxamide Formula: C22H23ClN4O3S2 MolecularWeight: 491.02602

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N(CC)C3=CC=CC=C3)Cl

Isomeric SMILES

CCCSC1=NC=C(C(=N1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)N(CC)C3=CC=CC=C3)Cl

InChI

InChI=1S/C22H23ClN4O3S2/c1-3-14-31-22-24-15-19(23)20(26-22)21(28)25-16-10-12-18(13-11-16)32(29,30)27(4-2)17-8-6-5-7-9-17/h5-13,15H,3-4,14H2,1-2H3,(H,25,28)