2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-N-(1-phenylethyl)propanamide

Systemtic Name: 2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-N-(1-phenylethyl)propanamide Openeye Name: 2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(1-phenylethyl)propanamide CAS Name: 2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-N-(1-phenylethyl)propanamide IUPAC Name: 2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(1-phenylethyl)propanamide Traditional Name: 2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]-N-(1-phenylethyl)propionamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CCCO

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

InChI=1S/C22H25N3O3S/c1-15(17-9-4-3-5-10-17)23-20(27)16(2)29-22-24-19-12-7-6-11-18(19)21(28)25(22)13-8-14-26/h3-7,9-12,15-16,26H,8,13-14H2,1-2H3,(H,23,27)