N-[9,10-bis(oxidanylidene)anthracen-1-yl]-2-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[9,10-bis(oxidanylidene)anthracen-1-yl]-2-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(9,10-dioxo-1-anthryl)-2-[3-(3-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(9,10-dioxo-1-anthracenyl)-2-[[3-(3-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(9,10-dioxoanthracen-1-yl)-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(9,10-diketo-1-anthryl)-2-[[4-keto-3-(3-methoxyphenyl)quinazolin-2-yl]thio]acetamide Formula: C31H21N3O5S MolecularWeight: 547.58054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC5=C4C(=O)C6=CC=CC=C6C5=O

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC=CC5=C4C(=O)C6=CC=CC=C6C5=O

InChI

InChI=1S/C31H21N3O5S/c1-39-19-9-6-8-18(16-19)34-30(38)22-12-4-5-14-24(22)33-31(34)40-17-26(35)32-25-15-7-13-23-27(25)29(37)21-11-3-2-10-20(21)28(23)36/h2-16H,17H2,1H3,(H,32,35)