N-(2-methoxy-4-nitro-phenyl)-2-(3,6,8-trimethylquinolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-2-(3,6,8-trimethylquinolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-methoxy-4-nitro-phenyl)-2-[(3,6,8-trimethyl-2-quinolyl)sulfanyl]acetamide CAS Name: N-(2-methoxy-4-nitrophenyl)-2-[(3,6,8-trimethyl-2-quinolinyl)thio]acetamide IUPAC Name: N-(2-methoxy-4-nitrophenyl)-2-(3,6,8-trimethylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(2-methoxy-4-nitro-phenyl)-2-[(3,6,8-trimethyl-2-quinolyl)thio]acetamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=N2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=N2)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])OC)C)C

InChI

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