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

Systemtic Name: N-[3-aminocarbonyl-5-(phenylmethyl)thiophen-2-yl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Openeye Name: N-(5-benzyl-3-carbamoyl-2-thienyl)-2-(3-isobutoxyphenyl)quinoline-4-carboxamide CAS Name: N-[3-carbamoyl-5-(phenylmethyl)-2-thiophenyl]-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxamide IUPAC Name: N-(5-benzyl-3-carbamoylthiophen-2-yl)-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Traditional Name: N-(5-benzyl-3-carbamoyl-2-thienyl)-2-(3-isobutoxyphenyl)cinchoninamide Formula: C32H29N3O3S MolecularWeight: 535.65596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=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

CC(C)COC1=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/C32H29N3O3S/c1-20(2)19-38-23-12-8-11-22(16-23)29-18-26(25-13-6-7-14-28(25)34-29)31(37)35-32-27(30(33)36)17-24(39-32)15-21-9-4-3-5-10-21/h3-14,16-18,20H,15,19H2,1-2H3,(H2,33,36)(H,35,37)