N-[3-aminocarbonyl-5-(phenylmethyl)thiophen-2-yl]-2-(3-ethoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-[3-aminocarbonyl-5-(phenylmethyl)thiophen-2-yl]-2-(3-ethoxyphenyl)quinoline-4-carboxamide Openeye Name: N-(5-benzyl-3-carbamoyl-2-thienyl)-2-(3-ethoxyphenyl)quinoline-4-carboxamide CAS Name: N-[3-carbamoyl-5-(phenylmethyl)-2-thiophenyl]-2-(3-ethoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-(5-benzyl-3-carbamoylthiophen-2-yl)-2-(3-ethoxyphenyl)quinoline-4-carboxamide Traditional Name: N-(5-benzyl-3-carbamoyl-2-thienyl)-2-m-phenetyl-cinchoninamide Formula: C30H25N3O3S MolecularWeight: 507.6028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=C(S4)CC5=CC=CC=C5)C(=O)N

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=C(S4)CC5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C30H25N3O3S/c1-2-36-21-12-8-11-20(16-21)27-18-24(23-13-6-7-14-26(23)32-27)29(35)33-30-25(28(31)34)17-22(37-30)15-19-9-4-3-5-10-19/h3-14,16-18H,2,15H2,1H3,(H2,31,34)(H,33,35)