N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-yl-ethyl]-3-phenylsulfanyl-propanamide

Systemtic Name: N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-yl-ethyl]-3-phenylsulfanyl-propanamide Openeye Name: N-[2-(1-methylindolin-5-yl)-2-(1-piperidyl)ethyl]-3-phenylsulfanyl-propanamide CAS Name: N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-(1-piperidinyl)ethyl]-3-(phenylthio)propanamide IUPAC Name: N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethyl]-3-phenylsulfanylpropanamide Traditional Name: N-[2-(1-methylindolin-5-yl)-2-piperidino-ethyl]-3-(phenylthio)propionamide Formula: C25H33N3OS MolecularWeight: 423.61402

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=C1C=CC(=C2)C(CNC(=O)CCSC3=CC=CC=C3)N4CCCCC4

Isomeric SMILES

CN1CCC2=C1C=CC(=C2)C(CNC(=O)CCSC3=CC=CC=C3)N4CCCCC4

InChI

InChI=1S/C25H33N3OS/c1-27-16-12-21-18-20(10-11-23(21)27)24(28-14-6-3-7-15-28)19-26-25(29)13-17-30-22-8-4-2-5-9-22/h2,4-5,8-11,18,24H,3,6-7,12-17,19H2,1H3,(H,26,29)