(2R)-N-(4-methoxyphenyl)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: (2R)-N-(4-methoxyphenyl)-2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2R)-2-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(4-methoxyphenyl)propanamide CAS Name: (2R)-N-(4-methoxyphenyl)-2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2R)-N-(4-methoxyphenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2R)-2-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]-N-(4-methoxyphenyl)propionamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC3=CC=C(C=C3)OC

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)OC)SC2=NC3=CC=CC=C3C(=O)N2CC(C)C

InChI

InChI=1S/C22H25N3O3S/c1-14(2)13-25-21(27)18-7-5-6-8-19(18)24-22(25)29-15(3)20(26)23-16-9-11-17(28-4)12-10-16/h5-12,14-15H,13H2,1-4H3,(H,23,26)/t15-/m1/s1