(2R)-N-(2,6-dimethylphenyl)-2-(6-ethoxy-2-phenyl-quinazolin-4-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-(2,6-dimethylphenyl)-2-(6-ethoxy-2-phenyl-quinazolin-4-yl)sulfanyl-propanamide Openeye Name: (2R)-N-(2,6-dimethylphenyl)-2-(6-ethoxy-2-phenyl-quinazolin-4-yl)sulfanyl-propanamide CAS Name: (2R)-N-(2,6-dimethylphenyl)-2-[(6-ethoxy-2-phenyl-4-quinazolinyl)thio]propanamide IUPAC Name: (2R)-N-(2,6-dimethylphenyl)-2-(6-ethoxy-2-phenylquinazolin-4-yl)sulfanylpropanamide Traditional Name: (2R)-N-(2,6-dimethylphenyl)-2-[(6-ethoxy-2-phenyl-quinazolin-4-yl)thio]propionamide Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2SC(C)C(=O)NC3=C(C=CC=C3C)C)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2S[C@H](C)C(=O)NC3=C(C=CC=C3C)C)C4=CC=CC=C4

InChI

InChI=1S/C27H27N3O2S/c1-5-32-21-14-15-23-22(16-21)27(30-25(28-23)20-12-7-6-8-13-20)33-19(4)26(31)29-24-17(2)10-9-11-18(24)3/h6-16,19H,5H2,1-4H3,(H,29,31)/t19-/m1/s1