4-(3-fluorophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carbothioamide

Systemtic Name: 4-(3-fluorophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carbothioamide Openeye Name: 4-(3-fluorophenyl)sulfonyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]piperazine-1-carbothioamide CAS Name: 4-(3-fluorophenyl)sulfonyl-N-[[(2S)-2-oxolanyl]methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(3-fluorophenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carbothioamide Traditional Name: 4-(3-fluorophenyl)sulfonyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]piperazine-1-carbothioamide Formula: C16H22FN3O3S2 MolecularWeight: 387.492583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C[C@H](OC1)CNC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C16H22FN3O3S2/c17-13-3-1-5-15(11-13)25(21,22)20-8-6-19(7-9-20)16(24)18-12-14-4-2-10-23-14/h1,3,5,11,14H,2,4,6-10,12H2,(H,18,24)/t14-/m0/s1