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

Systemtic Name: 3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole-2-thione CAS Name: 3-[[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole-2-thione Traditional Name: 3-[[4-(4-fluorophenyl)sulfonylpiperazino]methyl]-1,3-benzoxazole-2-thione Formula: C18H18FN3O3S2 MolecularWeight: 407.482223

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C3=CC=CC=C3OC2=S)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CCN1CN2C3=CC=CC=C3OC2=S)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C18H18FN3O3S2/c19-14-5-7-15(8-6-14)27(23,24)21-11-9-20(10-12-21)13-22-16-3-1-2-4-17(16)25-18(22)26/h1-8H,9-13H2