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

Systemtic Name: N-(4-ethanoylphenyl)-2-[4-oxidanylidene-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(4-acetylphenyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(4-acetylphenyl)-2-[[4-oxo-3-(4-phenoxyphenyl)-2-quinazolinyl]thio]propanamide IUPAC Name: N-(4-acetylphenyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(4-acetylphenyl)-2-[[4-keto-3-(4-phenoxyphenyl)quinazolin-2-yl]thio]propionamide Formula: C31H25N3O4S MolecularWeight: 535.6129

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C31H25N3O4S/c1-20(35)22-12-14-23(15-13-22)32-29(36)21(2)39-31-33-28-11-7-6-10-27(28)30(37)34(31)24-16-18-26(19-17-24)38-25-8-4-3-5-9-25/h3-19,21H,1-2H3,(H,32,36)