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

Systemtic Name: (2S)-2-[7-chloranyl-3-(3-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-ethyl-propanamide Openeye Name: (2S)-2-[7-chloro-3-(m-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-ethyl-propanamide CAS Name: (2S)-2-[[7-chloro-3-(3-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-ethylpropanamide IUPAC Name: (2S)-2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethylpropanamide Traditional Name: (2S)-2-[[7-chloro-4-keto-3-(m-tolyl)quinazolin-2-yl]thio]-N-ethyl-propionamide Formula: C20H20ClN3O2S MolecularWeight: 401.9097

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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(=C3)C

Isomeric SMILES

CCNC(=O)[C@H](C)SC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=CC(=C3)C

InChI

InChI=1S/C20H20ClN3O2S/c1-4-22-18(25)13(3)27-20-23-17-11-14(21)8-9-16(17)19(26)24(20)15-7-5-6-12(2)10-15/h5-11,13H,4H2,1-3H3,(H,22,25)/t13-/m0/s1