2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(4-ethanoylphenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(4-ethanoylphenyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(1,3-benzoxazol-2-ylsulfanyl)ethanone CAS Name: 1-[4-(4-acetylphenyl)-1-piperazinyl]-2-(1,3-benzoxazol-2-ylthio)ethanone IUPAC Name: 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(1,3-benzoxazol-2-ylsulfanyl)ethanone Traditional Name: 1-[4-(4-acetylphenyl)piperazino]-2-(1,3-benzoxazol-2-ylthio)ethanone Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H21N3O3S/c1-15(25)16-6-8-17(9-7-16)23-10-12-24(13-11-23)20(26)14-28-21-22-18-4-2-3-5-19(18)27-21/h2-9H,10-14H2,1H3