N-[(2S)-1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]-2-methyl-2-phenylsulfanyl-propanamide

Systemtic Name: N-[(2S)-1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]-2-methyl-2-phenylsulfanyl-propanamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-(1H-indol-3-yl)ethyl]-2-methyl-2-phenylsulfanyl-propanamide CAS Name: N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-methyl-2-(phenylthio)propanamide IUPAC Name: N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-2-methyl-2-phenylsulfanylpropanamide Traditional Name: N-[(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)ethyl]-2-methyl-2-(phenylthio)propionamide Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC(CC1=CNC2=CC=CC=C21)CO)SC3=CC=CC=C3

Isomeric SMILES

CC(C)(C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)CO)SC3=CC=CC=C3

InChI

InChI=1S/C21H24N2O2S/c1-21(2,26-17-8-4-3-5-9-17)20(25)23-16(14-24)12-15-13-22-19-11-7-6-10-18(15)19/h3-11,13,16,22,24H,12,14H2,1-2H3,(H,23,25)/t16-/m0/s1