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

Systemtic Name: (2S)-N-(4-methylphenyl)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2S)-2-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(p-tolyl)propanamide CAS Name: (2S)-N-(4-methylphenyl)-2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2S)-N-(4-methylphenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2S)-2-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]-N-(p-tolyl)propionamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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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)N2CC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2CC(C)C

InChI

InChI=1S/C22H25N3O2S/c1-14(2)13-25-21(27)18-7-5-6-8-19(18)24-22(25)28-16(4)20(26)23-17-11-9-15(3)10-12-17/h5-12,14,16H,13H2,1-4H3,(H,23,26)/t16-/m0/s1