N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-[5-(diethylsulfamoyl)-2-methyl-phenyl]-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-(4-quinazolinylthio)acetamide IUPAC Name: N-[5-(diethylsulfamoyl)-2-methylphenyl]-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-[5-(diethylsulfamoyl)-2-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=CC(=C(C=C1)C)NC(=O)CSC2=NC=NC3=CC=CC=C32

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O3S2/c1-4-25(5-2)30(27,28)16-11-10-15(3)19(12-16)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)