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

Systemtic Name: N-[4-[(3-bromophenyl)amino]quinazolin-6-yl]-2-methyl-2,3-bis(sulfanyl)propanamide Openeye Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-2-methyl-2,3-bis(sulfanyl)propanamide CAS Name: N-[4-(3-bromoanilino)-6-quinazolinyl]-2,3-dimercapto-2-methylpropanamide IUPAC Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-2-methyl-2,3-bis(sulfanyl)propanamide Traditional Name: N-[4-(3-bromoanilino)quinazolin-6-yl]-2,3-dimercapto-2-methyl-propionamide Formula: C18H17BrN4OS2 MolecularWeight: 449.38778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN4OS2/c1-18(26,9-25)17(24)23-13-5-6-15-14(8-13)16(21-10-20-15)22-12-4-2-3-11(19)7-12/h2-8,10,25-26H,9H2,1H3,(H,23,24)(H,20,21,22)