N-[(2,5-dimethoxyphenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-[(2,5-dimethoxyphenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Openeye Name: N-[(2,5-dimethoxyphenyl)carbamothioyl]-2-(3-isopropoxyphenyl)quinoline-4-carboxamide CAS Name: N-[(2,5-dimethoxyanilino)-sulfanylidenemethyl]-2-(3-propan-2-yloxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[(2,5-dimethoxyphenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Traditional Name: N-[(2,5-dimethoxyphenyl)thiocarbamoyl]-2-(3-isopropoxyphenyl)cinchoninamide Formula: C28H27N3O4S MolecularWeight: 501.59668

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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)NC4=C(C=CC(=C4)OC)OC

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC(=S)NC4=C(C=CC(=C4)OC)OC

InChI

InChI=1S/C28H27N3O4S/c1-17(2)35-20-9-7-8-18(14-20)24-16-22(21-10-5-6-11-23(21)29-24)27(32)31-28(36)30-25-15-19(33-3)12-13-26(25)34-4/h5-17H,1-4H3,(H2,30,31,32,36)