2-[3-[(3-methylphenyl)methylsulfanyl]indol-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[3-[(3-methylphenyl)methylsulfanyl]indol-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[3-(m-tolylmethylsulfanyl)indol-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[3-[(3-methylphenyl)methylthio]-1-indolyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[3-[(3-methylphenyl)methylsulfanyl]indol-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[3-[(3-methylbenzyl)thio]indol-1-yl]-1-piperidino-ethanone Formula: C23H26N2OS MolecularWeight: 378.53034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=CN(C3=CC=CC=C32)CC(=O)N4CCCCC4

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=CN(C3=CC=CC=C32)CC(=O)N4CCCCC4

InChI

InChI=1S/C23H26N2OS/c1-18-8-7-9-19(14-18)17-27-22-15-25(21-11-4-3-10-20(21)22)16-23(26)24-12-5-2-6-13-24/h3-4,7-11,14-15H,2,5-6,12-13,16-17H2,1H3