N-[2-[ethyl(phenyl)amino]ethyl]-2-(4-propan-2-ylphenyl)sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-[2-[ethyl(phenyl)amino]ethyl]-2-(4-propan-2-ylphenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-[2-(N-ethylanilino)ethyl]-2-(4-isopropylphenyl)sulfanyl-quinoline-4-carboxamide CAS Name: N-[2-(N-ethylanilino)ethyl]-2-[(4-propan-2-ylphenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-[2-(N-ethylanilino)ethyl]-2-(4-propan-2-ylphenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-[2-(N-ethylanilino)ethyl]-2-(p-cumenylthio)cinchoninamide Formula: C29H31N3OS MolecularWeight: 469.64094

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)C(C)C)C4=CC=CC=C4

Isomeric SMILES

CCN(CCNC(=O)C1=CC(=NC2=CC=CC=C21)SC3=CC=C(C=C3)C(C)C)C4=CC=CC=C4

InChI

InChI=1S/C29H31N3OS/c1-4-32(23-10-6-5-7-11-23)19-18-30-29(33)26-20-28(31-27-13-9-8-12-25(26)27)34-24-16-14-22(15-17-24)21(2)3/h5-17,20-21H,4,18-19H2,1-3H3,(H,30,33)