N-[4-(diethylsulfamoyl)phenyl]-3-(6-methylpyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-[4-(diethylsulfamoyl)phenyl]-3-(6-methylpyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-[4-(diethylsulfamoyl)phenyl]-3-(6-methylpyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-[4-(diethylsulfamoyl)phenyl]-3-[(6-methyl-4-pyrimidinyl)thio]propanamide IUPAC Name: N-[4-(diethylsulfamoyl)phenyl]-3-(6-methylpyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-[4-(diethylsulfamoyl)phenyl]-3-[(6-methylpyrimidin-4-yl)thio]propionamide Formula: C18H24N4O3S2 MolecularWeight: 408.53816

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CCSC2=NC=NC(=C2)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)CCSC2=NC=NC(=C2)C

InChI

InChI=1S/C18H24N4O3S2/c1-4-22(5-2)27(24,25)16-8-6-15(7-9-16)21-17(23)10-11-26-18-12-14(3)19-13-20-18/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,21,23)