N-[ethyl(phenylsulfanyl)carbamoyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide

Systemtic Name: N-[ethyl(phenylsulfanyl)carbamoyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Openeye Name: N-[ethyl(phenylsulfanyl)carbamoyl]-2-(3-isopropoxyphenyl)quinoline-4-carboxamide CAS Name: N-[[ethyl-(phenylthio)amino]-oxomethyl]-2-(3-propan-2-yloxyphenyl)-4-quinolinecarboxamide IUPAC Name: N-[ethyl(phenylsulfanyl)carbamoyl]-2-(3-propan-2-yloxyphenyl)quinoline-4-carboxamide Traditional Name: N-[ethyl-(phenylthio)carbamoyl]-2-(3-isopropoxyphenyl)cinchoninamide Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C(=O)NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=CC=C3)OC(C)C)SC4=CC=CC=C4

Isomeric SMILES

CCN(C(=O)NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC(=CC=C3)OC(C)C)SC4=CC=CC=C4

InChI

InChI=1S/C28H27N3O3S/c1-4-31(35-22-13-6-5-7-14-22)28(33)30-27(32)24-18-26(29-25-16-9-8-15-23(24)25)20-11-10-12-21(17-20)34-19(2)3/h5-19H,4H2,1-3H3,(H,30,32,33)