2-(7-chloranyl-1-methyl-2-oxidanylidene-quinolin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)ethanamide

Systemtic Name: 2-(7-chloranyl-1-methyl-2-oxidanylidene-quinolin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: 2-[(7-chloro-1-methyl-2-oxo-4-quinolyl)sulfanyl]-N-(3,4,5-trimethoxyphenyl)acetamide CAS Name: 2-[(7-chloro-1-methyl-2-oxo-4-quinolinyl)thio]-N-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: 2-(7-chloro-1-methyl-2-oxoquinolin-4-yl)sulfanyl-N-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: 2-[(7-chloro-2-keto-1-methyl-4-quinolyl)thio]-N-(3,4,5-trimethoxyphenyl)acetamide Formula: C21H21ClN2O5S MolecularWeight: 448.91984

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)Cl)C(=CC1=O)SCC(=O)NC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CN1C2=C(C=CC(=C2)Cl)C(=CC1=O)SCC(=O)NC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C21H21ClN2O5S/c1-24-15-7-12(22)5-6-14(15)18(10-20(24)26)30-11-19(25)23-13-8-16(27-2)21(29-4)17(9-13)28-3/h5-10H,11H2,1-4H3,(H,23,25)