N-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-3,3-dimethyl-2,2-bis(sulfanyl)butanamide

Systemtic Name: N-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-3,3-dimethyl-2,2-bis(sulfanyl)butanamide Openeye Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-3,3-dimethyl-2,2-bis(sulfanyl)butanamide CAS Name: N-[4-(3-bromoanilino)-6-quinazolinyl]-2,2-dimercapto-3,3-dimethylbutanamide IUPAC Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-3,3-dimethyl-2,2-bis(sulfanyl)butanamide Traditional Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-2,2-dimercapto-3,3-dimethyl-butyramide Formula: C20H21BrN4OS2 MolecularWeight: 477.44094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br)(S)S

Isomeric SMILES

CC(C)(C)C(C(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Br)(S)S

InChI

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