2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone

Systemtic Name: 2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone Openeye Name: 2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanyl-1-(2-ethyl-1-piperidyl)ethanone CAS Name: 2-[[1-[(2,5-dimethylphenyl)methyl]-3-indolyl]thio]-1-(2-ethyl-1-piperidinyl)ethanone IUPAC Name: 2-[1-[(2,5-dimethylphenyl)methyl]indol-3-yl]sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone Traditional Name: 2-[[1-(2,5-dimethylbenzyl)indol-3-yl]thio]-1-(2-ethylpiperidino)ethanone Formula: C26H32N2OS MolecularWeight: 420.61008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2OS/c1-4-22-9-7-8-14-28(22)26(29)18-30-25-17-27(24-11-6-5-10-23(24)25)16-21-15-19(2)12-13-20(21)3/h5-6,10-13,15,17,22H,4,7-9,14,16,18H2,1-3H3