2-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-quinolin-5-yl-propanamide

Systemtic Name: 2-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-quinolin-5-yl-propanamide Openeye Name: 2-[3-(3-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(5-quinolyl)propanamide CAS Name: 2-[[3-(3-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]-N-(5-quinolinyl)propanamide IUPAC Name: 2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-quinolin-5-ylpropanamide Traditional Name: 2-[[4-keto-3-(3-methoxyphenyl)quinazolin-2-yl]thio]-N-(5-quinolyl)propionamide Formula: C27H22N4O3S MolecularWeight: 482.55358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)SC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)OC

Isomeric SMILES

CC(C(=O)NC1=CC=CC2=C1C=CC=N2)SC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)OC

InChI

InChI=1S/C27H22N4O3S/c1-17(25(32)29-23-14-6-13-22-20(23)11-7-15-28-22)35-27-30-24-12-4-3-10-21(24)26(33)31(27)18-8-5-9-19(16-18)34-2/h3-17H,1-2H3,(H,29,32)