2-(7-methoxy-4-methyl-quinolin-2-yl)sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide

Systemtic Name: 2-(7-methoxy-4-methyl-quinolin-2-yl)sulfanyl-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 2-[(7-methoxy-4-methyl-2-quinolyl)sulfanyl]-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 2-[(7-methoxy-4-methyl-2-quinolinyl)thio]-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 2-(7-methoxy-4-methylquinolin-2-yl)sulfanyl-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 2-[(7-methoxy-4-methyl-2-quinolyl)thio]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=CC(=C2)OC)SC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC(=NC2=C1C=CC(=C2)OC)SC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H21N3O5S/c1-12-9-20(22-17-11-15(28-3)6-7-16(12)17)30-13(2)21(25)23-18-10-14(24(26)27)5-8-19(18)29-4/h5-11,13H,1-4H3,(H,23,25)