N-(3-chloranyl-4-methoxy-phenyl)-2-(4-methylquinolin-2-yl)sulfanyl-butanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-(4-methylquinolin-2-yl)sulfanyl-butanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-[(4-methyl-2-quinolyl)sulfanyl]butanamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-[(4-methyl-2-quinolinyl)thio]butanamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-(4-methylquinolin-2-yl)sulfanylbutanamide Traditional Name: N-(3-chloro-4-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=CC(=C(C=C1)OC)Cl)SC2=NC3=CC=CC=C3C(=C2)C

Isomeric SMILES

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

InChI

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