N-[(3-methoxyphenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-[(3-methoxyphenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Openeye Name: 2-(3-isopropoxyphenyl)-N-[(3-methoxyphenyl)carbamothioyl]quinoline-4-carboxamide CAS Name: N-[(3-methoxyanilino)-sulfanylidenemethyl]-2-(3-propan-2-yloxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[(3-methoxyphenyl)carbamothioyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Traditional Name: 2-(3-isopropoxyphenyl)-N-[(3-methoxyphenyl)thiocarbamoyl]cinchoninamide Formula: C27H25N3O3S MolecularWeight: 471.5707

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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=CC(=CC=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O3S/c1-17(2)33-21-11-6-8-18(14-21)25-16-23(22-12-4-5-13-24(22)29-25)26(31)30-27(34)28-19-9-7-10-20(15-19)32-3/h4-17H,1-3H3,(H2,28,30,31,34)