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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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