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

Systemtic Name: 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(diphenylmethyl)sulfanyl-ethanone Openeye Name: 2-benzhydrylsulfanyl-1-[4-(1,3-benzoxazol-2-yl)-1-piperidyl]ethanone CAS Name: 1-[4-(1,3-benzoxazol-2-yl)-1-piperidinyl]-2-[(diphenylmethyl)thio]ethanone IUPAC Name: 2-benzhydrylsulfanyl-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]ethanone Traditional Name: 2-(benzhydrylthio)-1-[4-(1,3-benzoxazol-2-yl)piperidino]ethanone Formula: C27H26N2O2S MolecularWeight: 442.57254

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=O)CSC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3O2)C(=O)CSC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H26N2O2S/c30-25(19-32-26(20-9-3-1-4-10-20)21-11-5-2-6-12-21)29-17-15-22(16-18-29)27-28-23-13-7-8-14-24(23)31-27/h1-14,22,26H,15-19H2