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

Systemtic Name: N-[9,10-bis(oxidanylidene)anthracen-1-yl]-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(9,10-dioxo-1-anthryl)-2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(9,10-dioxo-1-anthracenyl)-2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(9,10-dioxoanthracen-1-yl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(9,10-diketo-1-anthryl)-2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C27H21N3O5S MolecularWeight: 499.53774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)CSC4=NC5=CC=CC=C5C(=O)N4CCCO

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=CC=C3)NC(=O)CSC4=NC5=CC=CC=C5C(=O)N4CCCO

InChI

InChI=1S/C27H21N3O5S/c31-14-6-13-30-26(35)18-9-3-4-11-20(18)29-27(30)36-15-22(32)28-21-12-5-10-19-23(21)25(34)17-8-2-1-7-16(17)24(19)33/h1-5,7-12,31H,6,13-15H2,(H,28,32)