N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-quinazolinylthio)acetamide IUPAC Name: N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-(quinazolin-4-ylthio)acetamide Formula: C21H24N4O3S2 MolecularWeight: 444.57026

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CSC2=NC=NC3=CC=CC=C32)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)CSC2=NC=NC3=CC=CC=C32)C

InChI

InChI=1S/C21H24N4O3S2/c1-4-25(5-2)30(27,28)19-12-16(11-10-15(19)3)24-20(26)13-29-21-17-8-6-7-9-18(17)22-14-23-21/h6-12,14H,4-5,13H2,1-3H3,(H,24,26)