N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-6-methyl-2-thiophen-3-yl-quinoline-4-carboxamide

Systemtic Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-6-methyl-2-thiophen-3-yl-quinoline-4-carboxamide Openeye Name: N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-6-methyl-2-(3-thienyl)quinoline-4-carboxamide CAS Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-6-methyl-2-(3-thiophenyl)-4-quinolinecarboxamide IUPAC Name: N-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl]-6-methyl-2-thiophen-3-ylquinoline-4-carboxamide Traditional Name: N-[4-(2,4-ditert-amylphenoxy)butyl]-6-methyl-2-(3-thienyl)cinchoninamide Formula: C35H44N2O2S MolecularWeight: 556.80106

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=CC(=NC3=C2C=C(C=C3)C)C4=CSC=C4)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=CC(=NC3=C2C=C(C=C3)C)C4=CSC=C4)C(C)(C)CC

InChI

InChI=1S/C35H44N2O2S/c1-8-34(4,5)26-13-15-32(29(21-26)35(6,7)9-2)39-18-11-10-17-36-33(38)28-22-31(25-16-19-40-23-25)37-30-14-12-24(3)20-27(28)30/h12-16,19-23H,8-11,17-18H2,1-7H3,(H,36,38)