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

Systemtic Name: (2S)-2-[3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-ethyl-propanamide Openeye Name: (2S)-2-[3-(3-chloro-4-methoxy-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-ethyl-propanamide CAS Name: (2S)-2-[[3-(3-chloro-4-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]-N-ethylpropanamide IUPAC Name: (2S)-2-[3-(3-chloro-4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-ethylpropanamide Traditional Name: (2S)-2-[[3-(3-chloro-4-methoxy-phenyl)-4-keto-quinazolin-2-yl]thio]-N-ethyl-propionamide Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3O3S/c1-4-22-18(25)12(2)28-20-23-16-8-6-5-7-14(16)19(26)24(20)13-9-10-17(27-3)15(21)11-13/h5-12H,4H2,1-3H3,(H,22,25)/t12-/m0/s1