N-(2-tert-butylphenyl)-2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-tert-butylphenyl)-2-(7-methoxy-4-phenyl-quinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-tert-butylphenyl)-2-[(7-methoxy-4-phenyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(2-tert-butylphenyl)-2-[(7-methoxy-4-phenyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(2-tert-butylphenyl)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(2-tert-butylphenyl)-2-[(7-methoxy-4-phenyl-2-quinolyl)thio]acetamide Formula: C28H28N2O2S MolecularWeight: 456.59912

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NC(=O)CSC2=NC3=C(C=CC(=C3)OC)C(=C2)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NC(=O)CSC2=NC3=C(C=CC(=C3)OC)C(=C2)C4=CC=CC=C4

InChI

InChI=1S/C28H28N2O2S/c1-28(2,3)23-12-8-9-13-24(23)29-26(31)18-33-27-17-22(19-10-6-5-7-11-19)21-15-14-20(32-4)16-25(21)30-27/h5-17H,18H2,1-4H3,(H,29,31)