2-(3-butoxyphenyl)-N-[3-cyano-4-(2,4-dichlorophenyl)-5-methyl-thiophen-2-yl]quinoline-4-carboxamide

Systemtic Name: 2-(3-butoxyphenyl)-N-[3-cyano-4-(2,4-dichlorophenyl)-5-methyl-thiophen-2-yl]quinoline-4-carboxamide Openeye Name: 2-(3-butoxyphenyl)-N-[3-cyano-4-(2,4-dichlorophenyl)-5-methyl-2-thienyl]quinoline-4-carboxamide CAS Name: 2-(3-butoxyphenyl)-N-[3-cyano-4-(2,4-dichlorophenyl)-5-methyl-2-thiophenyl]-4-quinolinecarboxamide IUPAC Name: 2-(3-butoxyphenyl)-N-[3-cyano-4-(2,4-dichlorophenyl)-5-methylthiophen-2-yl]quinoline-4-carboxamide Traditional Name: 2-(3-butoxyphenyl)-N-[3-cyano-4-(2,4-dichlorophenyl)-5-methyl-2-thienyl]cinchoninamide Formula: C32H25Cl2N3O2S MolecularWeight: 586.5308

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C)C5=C(C=C(C=C5)Cl)Cl)C#N

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C)C5=C(C=C(C=C5)Cl)Cl)C#N

InChI

InChI=1S/C32H25Cl2N3O2S/c1-3-4-14-39-22-9-7-8-20(15-22)29-17-25(23-10-5-6-11-28(23)36-29)31(38)37-32-26(18-35)30(19(2)40-32)24-13-12-21(33)16-27(24)34/h5-13,15-17H,3-4,14H2,1-2H3,(H,37,38)