4-[2-[2-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethyl]benzenesulfonamide

Systemtic Name: 4-[2-[2-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethyl]benzenesulfonamide Openeye Name: 4-[2-[2-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]ethyl]benzenesulfonamide CAS Name: 4-[2-[2-[(2-methoxy-5-methylphenyl)methylthio]-4-oxo-3-quinazolinyl]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]ethyl]benzenesulfonamide Traditional Name: 4-[2-[4-keto-2-[(2-methoxy-5-methyl-benzyl)thio]quinazolin-3-yl]ethyl]benzenesulfonamide Formula: C25H25N3O4S2 MolecularWeight: 495.6137

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=O)N2CCC4=CC=C(C=C4)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CSC2=NC3=CC=CC=C3C(=O)N2CCC4=CC=C(C=C4)S(=O)(=O)N

InChI

InChI=1S/C25H25N3O4S2/c1-17-7-12-23(32-2)19(15-17)16-33-25-27-22-6-4-3-5-21(22)24(29)28(25)14-13-18-8-10-20(11-9-18)34(26,30)31/h3-12,15H,13-14,16H2,1-2H3,(H2,26,30,31)