2-[4-[2-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[2-(1,3-benzoxazol-2-ylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[[2-[(1,3-benzoxazol-2-ylthio)methyl]phenyl]-oxomethyl]-1-piperazinyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[2-[(1,3-benzoxazol-2-ylthio)methyl]benzoyl]piperazino]-1-pyrrolidino-ethanone Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2CCN(CC2)C(=O)C3=CC=CC=C3CSC4=NC5=CC=CC=C5O4

Isomeric SMILES

C1CCN(C1)C(=O)CN2CCN(CC2)C(=O)C3=CC=CC=C3CSC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C25H28N4O3S/c30-23(28-11-5-6-12-28)17-27-13-15-29(16-14-27)24(31)20-8-2-1-7-19(20)18-33-25-26-21-9-3-4-10-22(21)32-25/h1-4,7-10H,5-6,11-18H2