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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN4OS2/c1-2-18(25,26)17(24)23-13-6-7-15-14(9-13)16(21-10-20-15)22-12-5-3-4-11(19)8-12/h3-10,25-26H,2H2,1H3,(H,23,24)(H,20,21,22)