N-(2-methoxy-5-nitro-phenyl)-2-(4-methylquinolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-2-(4-methylquinolin-2-yl)sulfanyl-propanamide Openeye Name: N-(2-methoxy-5-nitro-phenyl)-2-[(4-methyl-2-quinolyl)sulfanyl]propanamide CAS Name: N-(2-methoxy-5-nitrophenyl)-2-[(4-methyl-2-quinolinyl)thio]propanamide IUPAC Name: N-(2-methoxy-5-nitrophenyl)-2-(4-methylquinolin-2-yl)sulfanylpropanamide Traditional Name: N-(2-methoxy-5-nitro-phenyl)-2-[(4-methyl-2-quinolyl)thio]propionamide Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C20H19N3O4S/c1-12-10-19(21-16-7-5-4-6-15(12)16)28-13(2)20(24)22-17-11-14(23(25)26)8-9-18(17)27-3/h4-11,13H,1-3H3,(H,22,24)