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

Systemtic Name: 2-(3-butoxyphenyl)-N-[3-cyano-4-(4-methoxyphenyl)-5-methyl-thiophen-2-yl]quinoline-4-carboxamide Openeye Name: 2-(3-butoxyphenyl)-N-[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thienyl]quinoline-4-carboxamide CAS Name: 2-(3-butoxyphenyl)-N-[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thiophenyl]-4-quinolinecarboxamide IUPAC Name: 2-(3-butoxyphenyl)-N-[3-cyano-4-(4-methoxyphenyl)-5-methylthiophen-2-yl]quinoline-4-carboxamide Traditional Name: 2-(3-butoxyphenyl)-N-[3-cyano-4-(4-methoxyphenyl)-5-methyl-2-thienyl]cinchoninamide Formula: C33H29N3O3S MolecularWeight: 547.66666

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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=CC=C(C=C5)OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C33H29N3O3S/c1-4-5-17-39-25-10-8-9-23(18-25)30-19-27(26-11-6-7-12-29(26)35-30)32(37)36-33-28(20-34)31(21(2)40-33)22-13-15-24(38-3)16-14-22/h6-16,18-19H,4-5,17H2,1-3H3,(H,36,37)