N-(oxolan-2-ylmethyl)-4-[2,3,4-tris(fluoranyl)phenyl]sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(oxolan-2-ylmethyl)-4-[2,3,4-tris(fluoranyl)phenyl]sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(tetrahydrofuran-2-ylmethyl)-4-(2,3,4-trifluorophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(2-oxolanylmethyl)-4-(2,3,4-trifluorophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(oxolan-2-ylmethyl)-4-(2,3,4-trifluorophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(tetrahydrofurfuryl)-4-(2,3,4-trifluorophenyl)sulfonyl-piperazine-1-carbothioamide Formula: C16H20F3N3O3S2 MolecularWeight: 423.47351

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)N2CCN(CC2)S(=O)(=O)C3=C(C(=C(C=C3)F)F)F

Isomeric SMILES

C1CC(OC1)CNC(=S)N2CCN(CC2)S(=O)(=O)C3=C(C(=C(C=C3)F)F)F

InChI

InChI=1S/C16H20F3N3O3S2/c17-12-3-4-13(15(19)14(12)18)27(23,24)22-7-5-21(6-8-22)16(26)20-10-11-2-1-9-25-11/h3-4,11H,1-2,5-10H2,(H,20,26)