4-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-fluorophenyl)sulfonyl-N-(3-methoxyphenyl)piperazine-1-carbothioamide Formula: C18H20FN3O3S2 MolecularWeight: 409.498103

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC=CC(=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

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