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

Systemtic Name: N-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-4-methyl-2,2-bis(sulfanyl)pentanamide Openeye Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-4-methyl-2,2-bis(sulfanyl)pentanamide CAS Name: N-[4-(3-bromoanilino)-6-quinazolinyl]-2,2-dimercapto-4-methylpentanamide IUPAC Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-4-methyl-2,2-bis(sulfanyl)pentanamide Traditional Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-2,2-dimercapto-4-methyl-valeramide Formula: C20H21BrN4OS2 MolecularWeight: 477.44094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN4OS2/c1-12(2)10-20(27,28)19(26)25-15-6-7-17-16(9-15)18(23-11-22-17)24-14-5-3-4-13(21)8-14/h3-9,11-12,27-28H,10H2,1-2H3,(H,25,26)(H,22,23,24)