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

Systemtic Name: (2R)-N-tert-butyl-2-[3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: (2R)-N-tert-butyl-2-[3-(4-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: (2R)-N-tert-butyl-2-[[3-(4-chlorophenyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: (2R)-N-tert-butyl-2-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: (2R)-N-tert-butyl-2-[[3-(4-chlorophenyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)SC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@H](C(=O)NC(C)(C)C)SC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H22ClN3O2S/c1-13(18(26)24-21(2,3)4)28-20-23-17-8-6-5-7-16(17)19(27)25(20)15-11-9-14(22)10-12-15/h5-13H,1-4H3,(H,24,26)/t13-/m1/s1