N-(5-chloranyl-2-methoxy-phenyl)-2-[(7,8-dimethyl-4-oxidanylidene-1H-quinolin-2-yl)methylsulfanyl]ethanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-[(7,8-dimethyl-4-oxidanylidene-1H-quinolin-2-yl)methylsulfanyl]ethanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylthio]acetamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-[(7,8-dimethyl-4-oxo-1H-quinolin-2-yl)methylsulfanyl]acetamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-[(4-keto-7,8-dimethyl-1H-quinolin-2-yl)methylthio]acetamide Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)C=C(N2)CSCC(=O)NC3=C(C=CC(=C3)Cl)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)C=C(N2)CSCC(=O)NC3=C(C=CC(=C3)Cl)OC)C

InChI

InChI=1S/C21H21ClN2O3S/c1-12-4-6-16-18(25)9-15(23-21(16)13(12)2)10-28-11-20(26)24-17-8-14(22)5-7-19(17)27-3/h4-9H,10-11H2,1-3H3,(H,23,25)(H,24,26)