N-(3-methoxyphenyl)-2-[3-(4-nitrophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-phenyl-ethanamide

Systemtic Name: N-(3-methoxyphenyl)-2-[3-(4-nitrophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-phenyl-ethanamide Openeye Name: N-(3-methoxyphenyl)-2-[3-(4-nitrophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-2-phenyl-acetamide CAS Name: N-(3-methoxyphenyl)-2-[[3-(4-nitrophenyl)-4-oxo-2-quinazolinyl]thio]-2-phenylacetamide IUPAC Name: N-(3-methoxyphenyl)-2-[3-(4-nitrophenyl)-4-oxoquinazolin-2-yl]sulfanyl-2-phenylacetamide Traditional Name: 2-[[4-keto-3-(4-nitrophenyl)quinazolin-2-yl]thio]-N-(3-methoxyphenyl)-2-phenyl-acetamide Formula: C29H22N4O5S MolecularWeight: 538.57378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H22N4O5S/c1-38-23-11-7-10-20(18-23)30-27(34)26(19-8-3-2-4-9-19)39-29-31-25-13-6-5-12-24(25)28(35)32(29)21-14-16-22(17-15-21)33(36)37/h2-18,26H,1H3,(H,30,34)