N-ethyl-4-(4-fluorophenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-ethyl-4-(4-fluorophenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-ethyl-4-(4-fluorophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-ethyl-4-(4-fluorophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-ethyl-4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-ethyl-4-(4-fluorophenyl)sulfonyl-piperazine-1-carbothioamide Formula: C13H18FN3O2S2 MolecularWeight: 331.429323

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C13H18FN3O2S2/c1-2-15-13(20)16-7-9-17(10-8-16)21(18,19)12-5-3-11(14)4-6-12/h3-6H,2,7-10H2,1H3,(H,15,20)