4-(4-fluorophenyl)sulfonyl-N-(2-methoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-fluorophenyl)sulfonyl-N-(2-methoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-fluorophenyl)sulfonyl-N-(2-methoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-(4-fluorophenyl)sulfonyl-N-(2-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-fluorophenyl)sulfonyl-N-(2-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-fluorophenyl)sulfonyl-N-(2-methoxyphenyl)piperazine-1-carbothioamide Formula: C18H20FN3O3S2 MolecularWeight: 409.498103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=CC=C1NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H20FN3O3S2/c1-25-17-5-3-2-4-16(17)20-18(26)21-10-12-22(13-11-21)27(23,24)15-8-6-14(19)7-9-15/h2-9H,10-13H2,1H3,(H,20,26)