N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(3-methylsulfanylphenyl)amino]quinoline-4-carboxamide

Systemtic Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[(3-methylsulfanylphenyl)amino]quinoline-4-carboxamide Openeye Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-methylsulfanylanilino)quinoline-4-carboxamide CAS Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(methylthio)anilino]-4-quinolinecarboxamide IUPAC Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-(3-methylsulfanylanilino)quinoline-4-carboxamide Traditional Name: N-[2-(3,4-diethoxyphenyl)ethyl]-2-[3-(methylthio)anilino]cinchoninamide Formula: C29H31N3O3S MolecularWeight: 501.63974

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC(=NC3=CC=CC=C32)NC4=CC(=CC=C4)SC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC(=NC3=CC=CC=C32)NC4=CC(=CC=C4)SC)OCC

InChI

InChI=1S/C29H31N3O3S/c1-4-34-26-14-13-20(17-27(26)35-5-2)15-16-30-29(33)24-19-28(32-25-12-7-6-11-23(24)25)31-21-9-8-10-22(18-21)36-3/h6-14,17-19H,4-5,15-16H2,1-3H3,(H,30,33)(H,31,32)