4-[2-[4-oxidanylidene-2-[(4-propan-2-ylphenyl)methylsulfanyl]quinazolin-3-yl]ethyl]benzenesulfonamide

Systemtic Name: 4-[2-[4-oxidanylidene-2-[(4-propan-2-ylphenyl)methylsulfanyl]quinazolin-3-yl]ethyl]benzenesulfonamide Openeye Name: 4-[2-[2-[(4-isopropylphenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]ethyl]benzenesulfonamide CAS Name: 4-[2-[4-oxo-2-[(4-propan-2-ylphenyl)methylthio]-3-quinazolinyl]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[4-oxo-2-[(4-propan-2-ylphenyl)methylsulfanyl]quinazolin-3-yl]ethyl]benzenesulfonamide Traditional Name: 4-[2-[2-[(4-isopropylbenzyl)thio]-4-keto-quinazolin-3-yl]ethyl]benzenesulfonamide Formula: C26H27N3O3S2 MolecularWeight: 493.64088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O3S2/c1-18(2)21-11-7-20(8-12-21)17-33-26-28-24-6-4-3-5-23(24)25(30)29(26)16-15-19-9-13-22(14-10-19)34(27,31)32/h3-14,18H,15-17H2,1-2H3,(H2,27,31,32)