N-(4-iodanyl-2-methyl-phenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-iodanyl-2-methyl-phenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-iodo-2-methyl-phenyl)-2-[(4,6,8-trimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(4-iodo-2-methylphenyl)-2-[(4,6,8-trimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(4-iodo-2-methylphenyl)-2-(4,6,8-trimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(4-iodo-2-methyl-phenyl)-2-[(4,6,8-trimethyl-2-quinolyl)thio]acetamide Formula: C21H21IN2OS MolecularWeight: 476.37371

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)NC3=C(C=C(C=C3)I)C)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC(=O)NC3=C(C=C(C=C3)I)C)C)C

InChI

InChI=1S/C21H21IN2OS/c1-12-7-15(4)21-17(8-12)13(2)10-20(24-21)26-11-19(25)23-18-6-5-16(22)9-14(18)3/h5-10H,11H2,1-4H3,(H,23,25)