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

Systemtic Name: 2-[7-chloranyl-3-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]ethanamide Openeye Name: 2-[7-chloro-3-(2-methoxy-5-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[(1S)-1-methylbutyl]acetamide CAS Name: 2-[[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-[(2S)-pentan-2-yl]acetamide IUPAC Name: 2-[7-chloro-3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]acetamide Traditional Name: 2-[[7-chloro-4-keto-3-(2-methoxy-5-methyl-phenyl)quinazolin-2-yl]thio]-N-[(1S)-1-methylbutyl]acetamide Formula: C23H26ClN3O3S MolecularWeight: 459.98884

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=C(C=CC(=C3)C)OC

Isomeric SMILES

CCC[C@H](C)NC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=C(C=CC(=C3)C)OC

InChI

InChI=1S/C23H26ClN3O3S/c1-5-6-15(3)25-21(28)13-31-23-26-18-12-16(24)8-9-17(18)22(29)27(23)19-11-14(2)7-10-20(19)30-4/h7-12,15H,5-6,13H2,1-4H3,(H,25,28)/t15-/m0/s1