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

Systemtic Name: N-[9,10-bis(oxidanylidene)anthracen-1-yl]-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(9,10-dioxo-1-anthryl)-2-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(9,10-dioxo-1-anthracenyl)-2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(9,10-dioxoanthracen-1-yl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(9,10-diketo-1-anthryl)-2-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C28H23N3O4S MolecularWeight: 497.56492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC4=C3C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC=CC4=C3C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C28H23N3O4S/c1-16(2)14-31-27(35)19-10-5-6-12-21(19)30-28(31)36-15-23(32)29-22-13-7-11-20-24(22)26(34)18-9-4-3-8-17(18)25(20)33/h3-13,16H,14-15H2,1-2H3,(H,29,32)