1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(2,4,6-trimethylphenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(2,4,6-trimethylphenyl)sulfanyl-ethanone Openeye Name: 1-[4-(1,3-benzoxazol-2-yl)-1-piperidyl]-2-(2,4,6-trimethylphenyl)sulfanyl-ethanone CAS Name: 1-[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-2-[(2,4,6-trimethylphenyl)thio]ethanone IUPAC Name: 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(2,4,6-trimethylphenyl)sulfanylethanone Traditional Name: 1-[4-(1,3-benzoxazol-2-yl)piperidino]-2-(mesitylthio)ethanone Formula: C23H26N2O2S MolecularWeight: 394.52974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O2S/c1-15-12-16(2)22(17(3)13-15)28-14-21(26)25-10-8-18(9-11-25)23-24-19-6-4-5-7-20(19)27-23/h4-7,12-13,18H,8-11,14H2,1-3H3