(2R)-N-tert-butyl-2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: (2R)-N-tert-butyl-2-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2R)-2-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanyl-N-tert-butyl-propanamide CAS Name: (2R)-N-tert-butyl-2-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]propanamide IUPAC Name: (2R)-2-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-N-tert-butylpropanamide Traditional Name: (2R)-2-[(3-benzyl-4-keto-quinazolin-2-yl)thio]-N-tert-butyl-propionamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)SC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC(C)(C)C)SC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O2S/c1-15(19(26)24-22(2,3)4)28-21-23-18-13-9-8-12-17(18)20(27)25(21)14-16-10-6-5-7-11-16/h5-13,15H,14H2,1-4H3,(H,24,26)/t15-/m1/s1