2-[3-[4-(2-nitrophenyl)piperazin-1-yl]propylsulfanyl]-1,3-benzoxazole

Systemtic Name: 2-[3-[4-(2-nitrophenyl)piperazin-1-yl]propylsulfanyl]-1,3-benzoxazole Openeye Name: 2-[3-[4-(2-nitrophenyl)piperazin-1-yl]propylsulfanyl]-1,3-benzoxazole CAS Name: 2-[3-[4-(2-nitrophenyl)-1-piperazinyl]propylthio]-1,3-benzoxazole IUPAC Name: 2-[3-[4-(2-nitrophenyl)piperazin-1-yl]propylsulfanyl]-1,3-benzoxazole Traditional Name: 2-[3-[4-(2-nitrophenyl)piperazino]propylthio]-1,3-benzoxazole Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCSC2=NC3=CC=CC=C3O2)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCCSC2=NC3=CC=CC=C3O2)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O3S/c25-24(26)18-8-3-2-7-17(18)23-13-11-22(12-14-23)10-5-15-28-20-21-16-6-1-4-9-19(16)27-20/h1-4,6-9H,5,10-15H2