N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-(4-methoxyphenyl)-3-methyl-quinoline-4-carboxamide

Systemtic Name: N-(3-cyano-4,5-dimethyl-thiophen-2-yl)-2-(4-methoxyphenyl)-3-methyl-quinoline-4-carboxamide Openeye Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-(4-methoxyphenyl)-3-methyl-quinoline-4-carboxamide CAS Name: N-(3-cyano-4,5-dimethyl-2-thiophenyl)-2-(4-methoxyphenyl)-3-methyl-4-quinolinecarboxamide IUPAC Name: N-(3-cyano-4,5-dimethylthiophen-2-yl)-2-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide Traditional Name: N-(3-cyano-4,5-dimethyl-2-thienyl)-2-(4-methoxyphenyl)-3-methyl-cinchoninamide Formula: C25H21N3O2S MolecularWeight: 427.51814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC)C)C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)C2=C(C(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC)C)C

InChI

InChI=1S/C25H21N3O2S/c1-14-16(3)31-25(20(14)13-26)28-24(29)22-15(2)23(17-9-11-18(30-4)12-10-17)27-21-8-6-5-7-19(21)22/h5-12H,1-4H3,(H,28,29)