1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-[(3-methylphenyl)methylsulfanyl]ethanone

Systemtic Name: 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-[(3-methylphenyl)methylsulfanyl]ethanone Openeye Name: 1-[4-(1,3-benzoxazol-2-yl)-1-piperidyl]-2-(m-tolylmethylsulfanyl)ethanone CAS Name: 1-[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-2-[(3-methylphenyl)methylthio]ethanone IUPAC Name: 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-[(3-methylphenyl)methylsulfanyl]ethanone Traditional Name: 1-[4-(1,3-benzoxazol-2-yl)piperidino]-2-[(3-methylbenzyl)thio]ethanone Formula: C22H24N2O2S MolecularWeight: 380.50316

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C22H24N2O2S/c1-16-5-4-6-17(13-16)14-27-15-21(25)24-11-9-18(10-12-24)22-23-19-7-2-3-8-20(19)26-22/h2-8,13,18H,9-12,14-15H2,1H3