(2S)-2-[7-chloranyl-3-(2,3-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-ethyl-propanamide

Systemtic Name: (2S)-2-[7-chloranyl-3-(2,3-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-ethyl-propanamide Openeye Name: (2S)-2-[7-chloro-3-(2,3-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-ethyl-propanamide CAS Name: (2S)-2-[[7-chloro-3-(2,3-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-ethylpropanamide IUPAC Name: (2S)-2-[7-chloro-3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethylpropanamide Traditional Name: (2S)-2-[[7-chloro-3-(2,3-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-ethyl-propionamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)SC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=CC(=C3C)C

Isomeric SMILES

CCNC(=O)[C@H](C)SC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=CC(=C3C)C

InChI

InChI=1S/C21H22ClN3O2S/c1-5-23-19(26)14(4)28-21-24-17-11-15(22)9-10-16(17)20(27)25(21)18-8-6-7-12(2)13(18)3/h6-11,14H,5H2,1-4H3,(H,23,26)/t14-/m0/s1