N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)quinoline-4-carboxamide Openeye Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiazol-2-yl]-2-(4-methoxyphenyl)quinoline-4-carboxamide CAS Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-thiazolyl]-2-(4-methoxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)quinoline-4-carboxamide Traditional Name: 2-(4-methoxyphenyl)-N-(4-methyl-5-piperonyl-thiazol-2-yl)cinchoninamide Formula: C29H23N3O4S MolecularWeight: 509.57562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)OC)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C29H23N3O4S/c1-17-27(14-18-7-12-25-26(13-18)36-16-35-25)37-29(30-17)32-28(33)22-15-24(19-8-10-20(34-2)11-9-19)31-23-6-4-3-5-21(22)23/h3-13,15H,14,16H2,1-2H3,(H,30,32,33)