2-(3-ethyl-8-methyl-quinolin-2-yl)sulfanyl-N-(2-methoxy-4-nitro-phenyl)ethanamide

Systemtic Name: 2-(3-ethyl-8-methyl-quinolin-2-yl)sulfanyl-N-(2-methoxy-4-nitro-phenyl)ethanamide Openeye Name: 2-[(3-ethyl-8-methyl-2-quinolyl)sulfanyl]-N-(2-methoxy-4-nitro-phenyl)acetamide CAS Name: 2-[(3-ethyl-8-methyl-2-quinolinyl)thio]-N-(2-methoxy-4-nitrophenyl)acetamide IUPAC Name: 2-(3-ethyl-8-methylquinolin-2-yl)sulfanyl-N-(2-methoxy-4-nitrophenyl)acetamide Traditional Name: 2-[(3-ethyl-8-methyl-2-quinolyl)thio]-N-(2-methoxy-4-nitro-phenyl)acetamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C2C(=CC=CC2=C1)C)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCC1=C(N=C2C(=CC=CC2=C1)C)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H21N3O4S/c1-4-14-10-15-7-5-6-13(2)20(15)23-21(14)29-12-19(25)22-17-9-8-16(24(26)27)11-18(17)28-3/h5-11H,4,12H2,1-3H3,(H,22,25)