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

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3-methylsulfanylphenyl)amino]quinoline-4-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylsulfanylanilino)quinoline-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(methylthio)anilino]-4-quinolinecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methylsulfanylanilino)quinoline-4-carboxamide Traditional Name: N-homoveratryl-2-[3-(methylthio)anilino]cinchoninamide Formula: C27H27N3O3S MolecularWeight: 473.58658

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=NC3=CC=CC=C32)NC4=CC(=CC=C4)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CC(=NC3=CC=CC=C32)NC4=CC(=CC=C4)SC)OC

InChI

InChI=1S/C27H27N3O3S/c1-32-24-12-11-18(15-25(24)33-2)13-14-28-27(31)22-17-26(30-23-10-5-4-9-21(22)23)29-19-7-6-8-20(16-19)34-3/h4-12,15-17H,13-14H2,1-3H3,(H,28,31)(H,29,30)