N-[4-(dimethylsulfamoyl)phenyl]-3-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-[4-(dimethylsulfamoyl)phenyl]-3-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-[4-(dimethylsulfamoyl)phenyl]-3-(6-phenylpyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-[4-(dimethylsulfamoyl)phenyl]-3-[(6-phenyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-[4-(dimethylsulfamoyl)phenyl]-3-(6-phenylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-[4-(dimethylsulfamoyl)phenyl]-3-[(6-phenylpyrimidin-4-yl)thio]propionamide Formula: C21H22N4O3S2 MolecularWeight: 442.55438

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CCSC2=NC=NC(=C2)C3=CC=CC=C3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CCSC2=NC=NC(=C2)C3=CC=CC=C3

InChI

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