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

Systemtic Name: 2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-N-(4-phenoxyphenyl)propanamide Openeye Name: 2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(4-phenoxyphenyl)propanamide CAS Name: 2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-N-(4-phenoxyphenyl)propanamide IUPAC Name: 2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-phenoxyphenyl)propanamide Traditional Name: 2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]-N-(4-phenoxyphenyl)propionamide Formula: C26H25N3O4S MolecularWeight: 475.5594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=O)N3CCCO

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=O)N3CCCO

InChI

InChI=1S/C26H25N3O4S/c1-18(24(31)27-19-12-14-21(15-13-19)33-20-8-3-2-4-9-20)34-26-28-23-11-6-5-10-22(23)25(32)29(26)16-7-17-30/h2-6,8-15,18,30H,7,16-17H2,1H3,(H,27,31)