2-(cyanomethylsulfanyl)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide

Systemtic Name: 2-(cyanomethylsulfanyl)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide Openeye Name: 2-(cyanomethylsulfanyl)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide CAS Name: 2-(cyanomethylthio)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide IUPAC Name: 2-(cyanomethylsulfanyl)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide Traditional Name: 2-(cyanomethylthio)-N-[2-(1H-indol-3-yl)-2-(4-methoxyphenyl)ethyl]benzamide Formula: C26H23N3O2S MolecularWeight: 441.54472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)C2=CC=CC=C2SCC#N)C3=CNC4=CC=CC=C43

Isomeric SMILES

COC1=CC=C(C=C1)C(CNC(=O)C2=CC=CC=C2SCC#N)C3=CNC4=CC=CC=C43

InChI

InChI=1S/C26H23N3O2S/c1-31-19-12-10-18(11-13-19)22(23-17-28-24-8-4-2-6-20(23)24)16-29-26(30)21-7-3-5-9-25(21)32-15-14-27/h2-13,17,22,28H,15-16H2,1H3,(H,29,30)