(2S)-2-[3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-methylphenyl)propanamide

Systemtic Name: (2S)-2-[3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(4-methylphenyl)propanamide Openeye Name: (2S)-2-[3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(p-tolyl)propanamide CAS Name: (2S)-2-[[3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]-N-(4-methylphenyl)propanamide IUPAC Name: (2S)-2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-methylphenyl)propanamide Traditional Name: (2S)-2-[[4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]-N-(p-tolyl)propionamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CCCOC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2CCCOC

InChI

InChI=1S/C22H25N3O3S/c1-15-9-11-17(12-10-15)23-20(26)16(2)29-22-24-19-8-5-4-7-18(19)21(27)25(22)13-6-14-28-3/h4-5,7-12,16H,6,13-14H2,1-3H3,(H,23,26)/t16-/m0/s1