N-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]-2-(3-ethoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]-2-(3-ethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-[3-cyano-4-(2,4-dichlorophenyl)-2-thienyl]-2-(3-ethoxyphenyl)quinoline-4-carboxamide CAS Name: N-[3-cyano-4-(2,4-dichlorophenyl)-2-thiophenyl]-2-(3-ethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[3-cyano-4-(2,4-dichlorophenyl)thiophen-2-yl]-2-(3-ethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-[3-cyano-4-(2,4-dichlorophenyl)-2-thienyl]-2-m-phenetyl-cinchoninamide Formula: C29H19Cl2N3O2S MolecularWeight: 544.45106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=CS4)C5=C(C=C(C=C5)Cl)Cl)C#N

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=CS4)C5=C(C=C(C=C5)Cl)Cl)C#N

InChI

InChI=1S/C29H19Cl2N3O2S/c1-2-36-19-7-5-6-17(12-19)27-14-22(21-8-3-4-9-26(21)33-27)28(35)34-29-23(15-32)24(16-37-29)20-11-10-18(30)13-25(20)31/h3-14,16H,2H2,1H3,(H,34,35)