(2S)-2-[7-chloranyl-3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-methyl-propanamide

Systemtic Name: (2S)-2-[7-chloranyl-3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-methyl-propanamide Openeye Name: (2S)-2-[7-chloro-3-(2-methoxy-5-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-methyl-propanamide CAS Name: (2S)-2-[[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-methylpropanamide IUPAC Name: (2S)-2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-methylpropanamide Traditional Name: (2S)-2-[[7-chloro-4-keto-3-(2-methoxy-5-methyl-phenyl)quinazolin-2-yl]thio]-N-methyl-propionamide Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SC(C)C(=O)NC

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2S[C@@H](C)C(=O)NC

InChI

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