4-(4-fluorophenyl)sulfonyl-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-fluorophenyl)sulfonyl-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-fluorophenyl)sulfonyl-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide CAS Name: 4-(4-fluorophenyl)sulfonyl-N-(2-methoxy-4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-fluorophenyl)sulfonyl-N-(2-methoxy-4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-fluorophenyl)sulfonyl-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide Formula: C18H19FN4O5S2 MolecularWeight: 454.495663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H19FN4O5S2/c1-28-17-12-14(23(24)25)4-7-16(17)20-18(29)21-8-10-22(11-9-21)30(26,27)15-5-2-13(19)3-6-15/h2-7,12H,8-11H2,1H3,(H,20,29)