2-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-2-(tert-butyldisulfanyl)ethanamide

Systemtic Name: 2-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-2-(tert-butyldisulfanyl)ethanamide Openeye Name: 2-[4-(3-bromoanilino)quinazolin-6-yl]-2-(tert-butyldisulfanyl)acetamide CAS Name: 2-[4-(3-bromoanilino)-6-quinazolinyl]-2-(tert-butyldisulfanyl)acetamide IUPAC Name: 2-[4-(3-bromoanilino)quinazolin-6-yl]-2-(tert-butyldisulfanyl)acetamide Traditional Name: 2-[4-(3-bromoanilino)quinazolin-6-yl]-2-(tert-butyldisulfanyl)acetamide Formula: C20H21BrN4OS2 MolecularWeight: 477.44094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SSC(C1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br)C(=O)N

Isomeric SMILES

CC(C)(C)SSC(C1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br)C(=O)N

InChI

InChI=1S/C20H21BrN4OS2/c1-20(2,3)28-27-17(18(22)26)12-7-8-16-15(9-12)19(24-11-23-16)25-14-6-4-5-13(21)10-14/h4-11,17H,1-3H3,(H2,22,26)(H,23,24,25)