3-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole-2-thione

Systemtic Name: 3-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole-2-thione CAS Name: 3-[[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole-2-thione Traditional Name: 3-[[4-(2-nitrophenyl)sulfonylpiperazino]methyl]-1,3-benzoxazole-2-thione Formula: C18H18N4O5S2 MolecularWeight: 434.48932

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C3=CC=CC=C3OC2=S)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CN2C3=CC=CC=C3OC2=S)S(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O5S2/c23-22(24)15-6-2-4-8-17(15)29(25,26)20-11-9-19(10-12-20)13-21-14-5-1-3-7-16(14)27-18(21)28/h1-8H,9-13H2