1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(4-tert-butylphenyl)sulfanyl-ethanone

Systemtic Name: 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(4-tert-butylphenyl)sulfanyl-ethanone Openeye Name: 1-[4-(1,3-benzoxazol-2-yl)-1-piperidyl]-2-(4-tert-butylphenyl)sulfanyl-ethanone CAS Name: 1-[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-2-[(4-tert-butylphenyl)thio]ethanone IUPAC Name: 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(4-tert-butylphenyl)sulfanylethanone Traditional Name: 1-[4-(1,3-benzoxazol-2-yl)piperidino]-2-[(4-tert-butylphenyl)thio]ethanone Formula: C24H28N2O2S MolecularWeight: 408.55632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O2S/c1-24(2,3)18-8-10-19(11-9-18)29-16-22(27)26-14-12-17(13-15-26)23-25-20-6-4-5-7-21(20)28-23/h4-11,17H,12-16H2,1-3H3