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

Systemtic Name: 1-(2-ethylpiperidin-1-yl)-2-[1-[(3-methylphenyl)methyl]indol-3-yl]sulfanyl-ethanone Openeye Name: 1-(2-ethyl-1-piperidyl)-2-[1-(m-tolylmethyl)indol-3-yl]sulfanyl-ethanone CAS Name: 1-(2-ethyl-1-piperidinyl)-2-[[1-[(3-methylphenyl)methyl]-3-indolyl]thio]ethanone IUPAC Name: 1-(2-ethylpiperidin-1-yl)-2-[1-[(3-methylphenyl)methyl]indol-3-yl]sulfanylethanone Traditional Name: 1-(2-ethylpiperidino)-2-[[1-(3-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=CC(=C4)C

Isomeric SMILES

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

InChI

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