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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClN3O2S/c1-13(2)12-23-19(26)14(3)28-21-24-18-7-5-4-6-17(18)20(27)25(21)16-10-8-15(22)9-11-16/h4-11,13-14H,12H2,1-3H3,(H,23,26)/t14-/m0/s1