1-[(2S)-2-ethylpiperidin-1-yl]-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-ethanone

Systemtic Name: 1-[(2S)-2-ethylpiperidin-1-yl]-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-ethanone Openeye Name: 1-[(2S)-2-ethyl-1-piperidyl]-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanyl-ethanone CAS Name: 1-[(2S)-2-ethyl-1-piperidinyl]-2-[[1-[(3-fluorophenyl)methyl]-3-indolyl]thio]ethanone IUPAC Name: 1-[(2S)-2-ethylpiperidin-1-yl]-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfanylethanone Traditional Name: 1-[(2S)-2-ethylpiperidino]-2-[[1-(3-fluorobenzyl)indol-3-yl]thio]ethanone Formula: C24H27FN2OS MolecularWeight: 410.547383

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC(=CC=C4)F

Isomeric SMILES

CC[C@H]1CCCCN1C(=O)CSC2=CN(C3=CC=CC=C32)CC4=CC(=CC=C4)F

InChI

InChI=1S/C24H27FN2OS/c1-2-20-10-5-6-13-27(20)24(28)17-29-23-16-26(22-12-4-3-11-21(22)23)15-18-8-7-9-19(25)14-18/h3-4,7-9,11-12,14,16,20H,2,5-6,10,13,15,17H2,1H3/t20-/m0/s1