N-[3-[ethyl(phenyl)amino]propyl]-2-(4-ethylphenyl)sulfanyl-quinoline-4-carboxamide

Systemtic Name: N-[3-[ethyl(phenyl)amino]propyl]-2-(4-ethylphenyl)sulfanyl-quinoline-4-carboxamide Openeye Name: N-[3-(N-ethylanilino)propyl]-2-(4-ethylphenyl)sulfanyl-quinoline-4-carboxamide CAS Name: N-[3-(N-ethylanilino)propyl]-2-[(4-ethylphenyl)thio]-4-quinolinecarboxamide IUPAC Name: N-[3-(N-ethylanilino)propyl]-2-(4-ethylphenyl)sulfanylquinoline-4-carboxamide Traditional Name: N-[3-(N-ethylanilino)propyl]-2-[(4-ethylphenyl)thio]cinchoninamide Formula: C29H31N3OS MolecularWeight: 469.64094

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN(CC)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)SC2=NC3=CC=CC=C3C(=C2)C(=O)NCCCN(CC)C4=CC=CC=C4

InChI

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