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

Systemtic Name: (2S)-N-(4-methylphenyl)-2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2S)-2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(p-tolyl)propanamide CAS Name: (2S)-2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]-N-(4-methylphenyl)propanamide IUPAC Name: (2S)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(4-methylphenyl)propanamide Traditional Name: (2S)-2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]-N-(p-tolyl)propionamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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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)N2CCCO

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2CCCO

InChI

InChI=1S/C21H23N3O3S/c1-14-8-10-16(11-9-14)22-19(26)15(2)28-21-23-18-7-4-3-6-17(18)20(27)24(21)12-5-13-25/h3-4,6-11,15,25H,5,12-13H2,1-2H3,(H,22,26)/t15-/m0/s1