4-tert-butyl-N-[2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethyl]benzenesulfonamide

Systemtic Name: 4-tert-butyl-N-[2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethyl]benzenesulfonamide Openeye Name: 4-tert-butyl-N-[2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanylethyl]benzenesulfonamide CAS Name: 4-tert-butyl-N-[2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]ethyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylethyl]benzenesulfonamide Traditional Name: 4-tert-butyl-N-[2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]ethyl]benzenesulfonamide Formula: C26H27N3O3S2 MolecularWeight: 493.64088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCCSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NCCSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O3S2/c1-26(2,3)19-13-15-21(16-14-19)34(31,32)27-17-18-33-25-28-23-12-8-7-11-22(23)24(30)29(25)20-9-5-4-6-10-20/h4-16,27H,17-18H2,1-3H3