N-[3-aminocarbonyl-4-(4-tert-butylphenyl)-5-methyl-thiophen-2-yl]-2-(3-propoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-[3-aminocarbonyl-4-(4-tert-butylphenyl)-5-methyl-thiophen-2-yl]-2-(3-propoxyphenyl)quinoline-4-carboxamide Openeye Name: N-[4-(4-tert-butylphenyl)-3-carbamoyl-5-methyl-2-thienyl]-2-(3-propoxyphenyl)quinoline-4-carboxamide CAS Name: N-[4-(4-tert-butylphenyl)-3-carbamoyl-5-methyl-2-thiophenyl]-2-(3-propoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[4-(4-tert-butylphenyl)-3-carbamoyl-5-methylthiophen-2-yl]-2-(3-propoxyphenyl)quinoline-4-carboxamide Traditional Name: N-[4-(4-tert-butylphenyl)-3-carbamoyl-5-methyl-2-thienyl]-2-(3-propoxyphenyl)cinchoninamide Formula: C35H35N3O3S MolecularWeight: 577.7357

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C)C5=CC=C(C=C5)C(C)(C)C)C(=O)N

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C(=C(S4)C)C5=CC=C(C=C5)C(C)(C)C)C(=O)N

InChI

InChI=1S/C35H35N3O3S/c1-6-18-41-25-11-9-10-23(19-25)29-20-27(26-12-7-8-13-28(26)37-29)33(40)38-34-31(32(36)39)30(21(2)42-34)22-14-16-24(17-15-22)35(3,4)5/h7-17,19-20H,6,18H2,1-5H3,(H2,36,39)(H,38,40)