N-[(2,5-dimethoxyphenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide

Systemtic Name: N-[(2,5-dimethoxyphenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Openeye Name: N-[(2,5-dimethoxyphenyl)carbamothioyl]-2-(3-isobutoxyphenyl)quinoline-4-carboxamide CAS Name: N-[(2,5-dimethoxyanilino)-sulfanylidenemethyl]-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxamide IUPAC Name: N-[(2,5-dimethoxyphenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Traditional Name: N-[(2,5-dimethoxyphenyl)thiocarbamoyl]-2-(3-isobutoxyphenyl)cinchoninamide Formula: C29H29N3O4S MolecularWeight: 515.62326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CC(C)COC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C29H29N3O4S/c1-18(2)17-36-21-9-7-8-19(14-21)25-16-23(22-10-5-6-11-24(22)30-25)28(33)32-29(37)31-26-15-20(34-3)12-13-27(26)35-4/h5-16,18H,17H2,1-4H3,(H2,31,32,33,37)