N-[3-aminocarbonyl-5-(phenylmethyl)thiophen-2-yl]-2-(1,3-benzodioxol-5-yl)quinoline-4-carboxamide

Systemtic Name: N-[3-aminocarbonyl-5-(phenylmethyl)thiophen-2-yl]-2-(1,3-benzodioxol-5-yl)quinoline-4-carboxamide Openeye Name: 2-(1,3-benzodioxol-5-yl)-N-(5-benzyl-3-carbamoyl-2-thienyl)quinoline-4-carboxamide CAS Name: 2-(1,3-benzodioxol-5-yl)-N-[3-carbamoyl-5-(phenylmethyl)-2-thiophenyl]-4-quinolinecarboxamide IUPAC Name: 2-(1,3-benzodioxol-5-yl)-N-(5-benzyl-3-carbamoylthiophen-2-yl)quinoline-4-carboxamide Traditional Name: 2-(1,3-benzodioxol-5-yl)-N-(5-benzyl-3-carbamoyl-2-thienyl)cinchoninamide Formula: C29H21N3O4S MolecularWeight: 507.55974

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NC5=C(C=C(S5)CC6=CC=CC=C6)C(=O)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)NC5=C(C=C(S5)CC6=CC=CC=C6)C(=O)N

InChI

InChI=1S/C29H21N3O4S/c30-27(33)22-14-19(12-17-6-2-1-3-7-17)37-29(22)32-28(34)21-15-24(31-23-9-5-4-8-20(21)23)18-10-11-25-26(13-18)36-16-35-25/h1-11,13-15H,12,16H2,(H2,30,33)(H,32,34)