N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-2-(3-isopropoxyphenyl)quinoline-4-carboxamide CAS Name: N-[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]-2-(3-propan-2-yloxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Traditional Name: N-(homoveratrylthiocarbamoyl)-2-(3-isopropoxyphenyl)cinchoninamide Formula: C30H31N3O4S MolecularWeight: 529.64984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NCCC4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NCCC4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C30H31N3O4S/c1-19(2)37-22-9-7-8-21(17-22)26-18-24(23-10-5-6-11-25(23)32-26)29(34)33-30(38)31-15-14-20-12-13-27(35-3)28(16-20)36-4/h5-13,16-19H,14-15H2,1-4H3,(H2,31,33,34,38)