N-[(E)-(5-bromanylthiophen-2-yl)methylideneamino]-2-[3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(E)-(5-bromanylthiophen-2-yl)methylideneamino]-2-[3-(4-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-[(E)-(5-bromo-2-thienyl)methyleneamino]-2-[3-(4-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(E)-(5-bromo-2-thiophenyl)methylideneamino]-2-[[3-(4-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-[(E)-(5-bromothiophen-2-yl)methylideneamino]-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-[(E)-(5-bromo-2-thienyl)methyleneamino]-2-[[4-keto-3-(4-methoxyphenyl)quinazolin-2-yl]thio]acetamide Formula: C22H17BrN4O3S2 MolecularWeight: 529.42938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NN=CC4=CC=C(S4)Br

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N/N=C/C4=CC=C(S4)Br

InChI

InChI=1S/C22H17BrN4O3S2/c1-30-15-8-6-14(7-9-15)27-21(29)17-4-2-3-5-18(17)25-22(27)31-13-20(28)26-24-12-16-10-11-19(23)32-16/h2-12H,13H2,1H3,(H,26,28)/b24-12+