2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(2-phenylcyclopropyl)carbonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(2-phenylcyclopropyl)carbonylpiperazin-1-yl]ethanone Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]ethanone CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-[4-[oxo-(2-phenylcyclopropyl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-[4-(2-phenylcyclopropanecarbonyl)piperazino]ethanone Formula: C23H23N3O3S MolecularWeight: 421.51202

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3O2)C(=O)C4CC4C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3O2)C(=O)C4CC4C5=CC=CC=C5

InChI

InChI=1S/C23H23N3O3S/c27-21(15-30-23-24-19-8-4-5-9-20(19)29-23)25-10-12-26(13-11-25)22(28)18-14-17(18)16-6-2-1-3-7-16/h1-9,17-18H,10-15H2