2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide

Systemtic Name: 2-(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide Openeye Name: 2-(3-ethyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[4-(2-pyridylsulfamoyl)phenyl]butanamide CAS Name: 2-[(3-ethyl-4-oxo-2-quinazolinyl)thio]-N-[4-(2-pyridinylsulfamoyl)phenyl]butanamide IUPAC Name: 2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[4-(pyridin-2-ylsulfamoyl)phenyl]butanamide Traditional Name: 2-[(3-ethyl-4-keto-quinazolin-2-yl)thio]-N-[4-(2-pyridylsulfamoyl)phenyl]butyramide Formula: C25H25N5O4S2 MolecularWeight: 523.6271

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=N2)SC3=NC4=CC=CC=C4C(=O)N3CC

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=N2)SC3=NC4=CC=CC=C4C(=O)N3CC

InChI

InChI=1S/C25H25N5O4S2/c1-3-21(35-25-28-20-10-6-5-9-19(20)24(32)30(25)4-2)23(31)27-17-12-14-18(15-13-17)36(33,34)29-22-11-7-8-16-26-22/h5-16,21H,3-4H2,1-2H3,(H,26,29)(H,27,31)