N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-[4-(methylamino)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[4-(methylamino)-2-quinazolinyl]thio]acetamide IUPAC Name: N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(methylamino)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-[[4-(methylamino)quinazolin-2-yl]thio]acetamide Formula: C22H27N5O3S2 MolecularWeight: 473.61148

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=N2)NC)C

InChI

InChI=1S/C22H27N5O3S2/c1-5-27(6-2)32(29,30)19-13-16(12-11-15(19)3)24-20(28)14-31-22-25-18-10-8-7-9-17(18)21(23-4)26-22/h7-13H,5-6,14H2,1-4H3,(H,24,28)(H,23,25,26)