1-(2-ethylpiperidin-1-yl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanyl-ethanone

Systemtic Name: 1-(2-ethylpiperidin-1-yl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanyl-ethanone Openeye Name: 1-(2-ethyl-1-piperidyl)-2-[1-(p-tolylmethyl)indol-3-yl]sulfanyl-ethanone CAS Name: 1-(2-ethyl-1-piperidinyl)-2-[[1-[(4-methylphenyl)methyl]-3-indolyl]thio]ethanone IUPAC Name: 1-(2-ethylpiperidin-1-yl)-2-[1-[(4-methylphenyl)methyl]indol-3-yl]sulfanylethanone Traditional Name: 1-(2-ethylpiperidino)-2-[[1-(4-methylbenzyl)indol-3-yl]thio]ethanone Formula: C25H30N2OS MolecularWeight: 406.5835

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2OS/c1-3-21-8-6-7-15-27(21)25(28)18-29-24-17-26(23-10-5-4-9-22(23)24)16-20-13-11-19(2)12-14-20/h4-5,9-14,17,21H,3,6-8,15-16,18H2,1-2H3