methyl 4-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]carbothioylamino]butanoate

Systemtic Name: methyl 4-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]carbothioylamino]butanoate Openeye Name: methyl 4-[[4-(3-fluorophenyl)sulfonylpiperazine-1-carbothioyl]amino]butanoate CAS Name: 4-[[[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(3-fluorophenyl)sulfonylpiperazine-1-carbothioyl]amino]butanoate Traditional Name: 4-[[4-(3-fluorophenyl)sulfonylpiperazine-1-carbothioyl]amino]butyric acid methyl ester Formula: C16H22FN3O4S2 MolecularWeight: 403.491983

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)F

Isomeric SMILES

COC(=O)CCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)F

InChI

InChI=1S/C16H22FN3O4S2/c1-24-15(21)6-3-7-18-16(25)19-8-10-20(11-9-19)26(22,23)14-5-2-4-13(17)12-14/h2,4-5,12H,3,6-11H2,1H3,(H,18,25)