6-iodanyl-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-quinazolin-4-olate

Systemtic Name: 6-iodanyl-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-quinazolin-4-olate Openeye Name: 6-iodo-2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-quinazolin-4-olate CAS Name: 6-iodo-2-[[2-oxo-2-(phenethylamino)ethyl]thio]-4-quinazolinolate IUPAC Name: 6-iodo-2-[2-oxo-2-(phenethylamino)ethyl]sulfanylquinazolin-4-olate Traditional Name: 6-iodo-2-[[2-keto-2-(phenethylamino)ethyl]thio]quinazolin-4-olate Formula: C18H15IN3O2S- MolecularWeight: 464.30007

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CSC2=NC3=C(C=C(C=C3)I)C(=N2)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CSC2=NC3=C(C=C(C=C3)I)C(=N2)[O-]

InChI

InChI=1S/C18H16IN3O2S/c19-13-6-7-15-14(10-13)17(24)22-18(21-15)25-11-16(23)20-9-8-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,20,23)(H,21,22,24)/p-1