4-[2-[2-[(4-tert-butylphenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethyl]benzenesulfonamide

Systemtic Name: 4-[2-[2-[(4-tert-butylphenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethyl]benzenesulfonamide Openeye Name: 4-[2-[2-[(4-tert-butylphenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]ethyl]benzenesulfonamide CAS Name: 4-[2-[2-[(4-tert-butylphenyl)methylthio]-4-oxo-3-quinazolinyl]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[2-[(4-tert-butylphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]ethyl]benzenesulfonamide Traditional Name: 4-[2-[2-[(4-tert-butylbenzyl)thio]-4-keto-quinazolin-3-yl]ethyl]benzenesulfonamide Formula: C27H29N3O3S2 MolecularWeight: 507.66746

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H29N3O3S2/c1-27(2,3)21-12-8-20(9-13-21)18-34-26-29-24-7-5-4-6-23(24)25(31)30(26)17-16-19-10-14-22(15-11-19)35(28,32)33/h4-15H,16-18H2,1-3H3,(H2,28,32,33)