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

Systemtic Name: N-[3-aminocarbonyl-5-(phenylmethyl)thiophen-2-yl]-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide Openeye Name: N-(5-benzyl-3-carbamoyl-2-thienyl)-2-(4-isobutylphenyl)quinoline-4-carboxamide CAS Name: N-[3-carbamoyl-5-(phenylmethyl)-2-thiophenyl]-2-[4-(2-methylpropyl)phenyl]-4-quinolinecarboxamide IUPAC Name: N-(5-benzyl-3-carbamoylthiophen-2-yl)-2-[4-(2-methylpropyl)phenyl]quinoline-4-carboxamide Traditional Name: N-(5-benzyl-3-carbamoyl-2-thienyl)-2-(4-isobutylphenyl)cinchoninamide Formula: C32H29N3O2S MolecularWeight: 519.65656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=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)CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=C(S4)CC5=CC=CC=C5)C(=O)N

InChI

InChI=1S/C32H29N3O2S/c1-20(2)16-22-12-14-23(15-13-22)29-19-26(25-10-6-7-11-28(25)34-29)31(37)35-32-27(30(33)36)18-24(38-32)17-21-8-4-3-5-9-21/h3-15,18-20H,16-17H2,1-2H3,(H2,33,36)(H,35,37)