4-[2-[4-oxidanylidene-2-(phenylmethylsulfanyl)quinazolin-3-yl]ethyl]benzenesulfonamide

Systemtic Name: 4-[2-[4-oxidanylidene-2-(phenylmethylsulfanyl)quinazolin-3-yl]ethyl]benzenesulfonamide Openeye Name: 4-[2-(2-benzylsulfanyl-4-oxo-quinazolin-3-yl)ethyl]benzenesulfonamide CAS Name: 4-[2-[4-oxo-2-(phenylmethylthio)-3-quinazolinyl]ethyl]benzenesulfonamide IUPAC Name: 4-[2-(2-benzylsulfanyl-4-oxoquinazolin-3-yl)ethyl]benzenesulfonamide Traditional Name: 4-[2-[2-(benzylthio)-4-keto-quinazolin-3-yl]ethyl]benzenesulfonamide Formula: C23H21N3O3S2 MolecularWeight: 451.56114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2CCC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2CCC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C23H21N3O3S2/c24-31(28,29)19-12-10-17(11-13-19)14-15-26-22(27)20-8-4-5-9-21(20)25-23(26)30-16-18-6-2-1-3-7-18/h1-13H,14-16H2,(H2,24,28,29)