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

Systemtic Name: N-[(2S)-1-(1H-indol-3-yl)-3-oxidanyl-propan-2-yl]-1-phenylsulfanyl-cyclopropane-1-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-(1H-indol-3-yl)ethyl]-1-phenylsulfanyl-cyclopropanecarboxamide CAS Name: N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-1-(phenylthio)-1-cyclopropanecarboxamide IUPAC Name: N-[(2S)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-1-phenylsulfanylcyclopropane-1-carboxamide Traditional Name: N-[(1S)-2-hydroxy-1-(1H-indol-3-ylmethyl)ethyl]-1-(phenylthio)cyclopropanecarboxamide Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C(=O)NC(CC2=CNC3=CC=CC=C32)CO)SC4=CC=CC=C4

Isomeric SMILES

C1CC1(C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)CO)SC4=CC=CC=C4

InChI

InChI=1S/C21H22N2O2S/c24-14-16(12-15-13-22-19-9-5-4-8-18(15)19)23-20(25)21(10-11-21)26-17-6-2-1-3-7-17/h1-9,13,16,22,24H,10-12,14H2,(H,23,25)/t16-/m0/s1