N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[2-(1-methylindolin-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methyl-1-piperazinyl)ethyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-(4-methylpiperazin-1-yl)ethyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[2-(1-methylindolin-5-yl)-2-(4-methylpiperazino)ethyl]-2-(methylthio)nicotinamide Formula: C23H31N5OS MolecularWeight: 425.59014

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNC(=O)C2=C(N=CC=C2)SC)C3=CC4=C(C=C3)N(CC4)C

Isomeric SMILES

CN1CCN(CC1)C(CNC(=O)C2=C(N=CC=C2)SC)C3=CC4=C(C=C3)N(CC4)C

InChI

InChI=1S/C23H31N5OS/c1-26-11-13-28(14-12-26)21(17-6-7-20-18(15-17)8-10-27(20)2)16-25-22(29)19-5-4-9-24-23(19)30-3/h4-7,9,15,21H,8,10-14,16H2,1-3H3,(H,25,29)