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

Systemtic Name: N-[9,10-bis(oxidanylidene)anthracen-2-yl]-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(9,10-dioxo-2-anthryl)-2-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(9,10-dioxo-2-anthracenyl)-2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(9,10-dioxoanthracen-2-yl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(9,10-diketo-2-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=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O

InChI

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