N-[3-aminocarbonyl-5-(phenylmethyl)thiophen-2-yl]-6-chloranyl-2-pyridin-4-yl-quinoline-4-carboxamide

Systemtic Name: N-[3-aminocarbonyl-5-(phenylmethyl)thiophen-2-yl]-6-chloranyl-2-pyridin-4-yl-quinoline-4-carboxamide Openeye Name: N-(5-benzyl-3-carbamoyl-2-thienyl)-6-chloro-2-(4-pyridyl)quinoline-4-carboxamide CAS Name: N-[3-carbamoyl-5-(phenylmethyl)-2-thiophenyl]-6-chloro-2-pyridin-4-yl-4-quinolinecarboxamide IUPAC Name: N-(5-benzyl-3-carbamoylthiophen-2-yl)-6-chloro-2-pyridin-4-ylquinoline-4-carboxamide Traditional Name: N-(5-benzyl-3-carbamoyl-2-thienyl)-6-chloro-2-(4-pyridyl)cinchoninamide Formula: C27H19ClN4O2S MolecularWeight: 498.98336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=C(S2)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC=NC=C5)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=C(S2)NC(=O)C3=CC(=NC4=C3C=C(C=C4)Cl)C5=CC=NC=C5)C(=O)N

InChI

InChI=1S/C27H19ClN4O2S/c28-18-6-7-23-20(13-18)21(15-24(31-23)17-8-10-30-11-9-17)26(34)32-27-22(25(29)33)14-19(35-27)12-16-4-2-1-3-5-16/h1-11,13-15H,12H2,(H2,29,33)(H,32,34)