N-(3-aminocarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-(3-aminocarbonyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide CAS Name: N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-ethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(4-ethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(3-carbamoyl-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-p-phenetyl-cinchoninamide Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCCC5)C(=O)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CCCCC5)C(=O)N

InChI

InChI=1S/C28H27N3O3S/c1-2-34-18-14-12-17(13-15-18)23-16-21(19-8-6-7-10-22(19)30-23)27(33)31-28-25(26(29)32)20-9-4-3-5-11-24(20)35-28/h6-8,10,12-16H,2-5,9,11H2,1H3,(H2,29,32)(H,31,33)