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

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-[4-(4-nitrophenyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-[4-(4-nitrophenyl)piperazino]ethanone Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C19H18N4O4S/c24-18(13-28-19-20-16-3-1-2-4-17(16)27-19)22-11-9-21(10-12-22)14-5-7-15(8-6-14)23(25)26/h1-8H,9-13H2