N-[2-(4-methoxyphenyl)ethyl]-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: N-[2-(4-methoxyphenyl)ethyl]-2-(4-quinolylmethylsulfanyl)pyridine-3-carboxamide CAS Name: N-[2-(4-methoxyphenyl)ethyl]-2-(4-quinolinylmethylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-2-(quinolin-4-ylmethylsulfanyl)pyridine-3-carboxamide Traditional Name: N-[2-(4-methoxyphenyl)ethyl]-2-(4-quinolylmethylthio)nicotinamide Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)C2=C(N=CC=C2)SCC3=CC=NC4=CC=CC=C34

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)C2=C(N=CC=C2)SCC3=CC=NC4=CC=CC=C34

InChI

InChI=1S/C25H23N3O2S/c1-30-20-10-8-18(9-11-20)12-15-27-24(29)22-6-4-14-28-25(22)31-17-19-13-16-26-23-7-3-2-5-21(19)23/h2-11,13-14,16H,12,15,17H2,1H3,(H,27,29)