2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-phenoxyphenyl)propanamide

Systemtic Name: 2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-phenoxyphenyl)propanamide Openeye Name: 2-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(4-phenoxyphenyl)propanamide CAS Name: 2-[[3-(4-ethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(4-phenoxyphenyl)propanamide IUPAC Name: 2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenoxyphenyl)propanamide Traditional Name: 2-[[3-(4-ethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-(4-phenoxyphenyl)propionamide Formula: C31H27N3O3S MolecularWeight: 521.62938

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C31H27N3O3S/c1-3-22-13-17-24(18-14-22)34-30(36)27-11-7-8-12-28(27)33-31(34)38-21(2)29(35)32-23-15-19-26(20-16-23)37-25-9-5-4-6-10-25/h4-21H,3H2,1-2H3,(H,32,35)