N-(5-chloranyl-2-methoxy-phenyl)-2-(4-methylquinolin-2-yl)sulfanyl-butanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-2-(4-methylquinolin-2-yl)sulfanyl-butanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-2-[(4-methyl-2-quinolyl)sulfanyl]butanamide CAS Name: N-(5-chloro-2-methoxyphenyl)-2-[(4-methyl-2-quinolinyl)thio]butanamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-2-[(4-methyl-2-quinolyl)thio]butyramide Formula: C21H21ClN2O2S MolecularWeight: 400.92164

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)Cl)OC)SC2=NC3=CC=CC=C3C(=C2)C

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)Cl)OC)SC2=NC3=CC=CC=C3C(=C2)C

InChI

InChI=1S/C21H21ClN2O2S/c1-4-19(21(25)24-17-12-14(22)9-10-18(17)26-3)27-20-11-13(2)15-7-5-6-8-16(15)23-20/h5-12,19H,4H2,1-3H3,(H,24,25)