N-[(4-methoxyphenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide

Systemtic Name: N-[(4-methoxyphenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Openeye Name: 2-(3-isobutoxyphenyl)-N-[(4-methoxyphenyl)carbamothioyl]quinoline-4-carboxamide CAS Name: N-[(4-methoxyanilino)-sulfanylidenemethyl]-2-[3-(2-methylpropoxy)phenyl]-4-quinolinecarboxamide IUPAC Name: N-[(4-methoxyphenyl)carbamothioyl]-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxamide Traditional Name: 2-(3-isobutoxyphenyl)-N-[(4-methoxyphenyl)thiocarbamoyl]cinchoninamide Formula: C28H27N3O3S MolecularWeight: 485.59728

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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=CC=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H27N3O3S/c1-18(2)17-34-22-8-6-7-19(15-22)26-16-24(23-9-4-5-10-25(23)30-26)27(32)31-28(35)29-20-11-13-21(33-3)14-12-20/h4-16,18H,17H2,1-3H3,(H2,29,31,32,35)