4-[2-[2-[(3,5-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethyl]benzenesulfonamide

Systemtic Name: 4-[2-[2-[(3,5-dimethylphenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-3-yl]ethyl]benzenesulfonamide Openeye Name: 4-[2-[2-[(3,5-dimethylphenyl)methylsulfanyl]-4-oxo-quinazolin-3-yl]ethyl]benzenesulfonamide CAS Name: 4-[2-[2-[(3,5-dimethylphenyl)methylthio]-4-oxo-3-quinazolinyl]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[2-[(3,5-dimethylphenyl)methylsulfanyl]-4-oxoquinazolin-3-yl]ethyl]benzenesulfonamide Traditional Name: 4-[2-[2-[(3,5-dimethylbenzyl)thio]-4-keto-quinazolin-3-yl]ethyl]benzenesulfonamide Formula: C25H25N3O3S2 MolecularWeight: 479.6143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N3O3S2/c1-17-13-18(2)15-20(14-17)16-32-25-27-23-6-4-3-5-22(23)24(29)28(25)12-11-19-7-9-21(10-8-19)33(26,30)31/h3-10,13-15H,11-12,16H2,1-2H3,(H2,26,30,31)