N-[4-(butylcarbamoylsulfamoyl)phenyl]-2-[3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-2-[3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-2-[3-(4-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[4-[[butylamino(oxo)methyl]sulfamoyl]phenyl]-2-[[3-(4-chlorophenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-[4-(butylcarbamoylsulfamoyl)phenyl]-2-[[3-(4-chlorophenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C27H26ClN5O5S2 MolecularWeight: 600.10884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Cl

InChI

InChI=1S/C27H26ClN5O5S2/c1-2-3-16-29-26(36)32-40(37,38)21-14-10-19(11-15-21)30-24(34)17-39-27-31-23-7-5-4-6-22(23)25(35)33(27)20-12-8-18(28)9-13-20/h4-15H,2-3,16-17H2,1H3,(H,30,34)(H2,29,32,36)