4-[2,5-bis(fluoranyl)phenyl]sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide

Systemtic Name: 4-[2,5-bis(fluoranyl)phenyl]sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide Openeye Name: 4-(2,5-difluorophenyl)sulfonyl-N-(2-furylmethyl)piperazine-1-carbothioamide CAS Name: 4-(2,5-difluorophenyl)sulfonyl-N-(2-furanylmethyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2,5-difluorophenyl)sulfonyl-N-(furan-2-ylmethyl)piperazine-1-carbothioamide Traditional Name: 4-(2,5-difluorophenyl)sulfonyl-N-(2-furfuryl)piperazine-1-carbothioamide Formula: C16H17F2N3O3S2 MolecularWeight: 401.451286

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NCC2=CC=CO2)S(=O)(=O)C3=C(C=CC(=C3)F)F

Isomeric SMILES

C1CN(CCN1C(=S)NCC2=CC=CO2)S(=O)(=O)C3=C(C=CC(=C3)F)F

InChI

InChI=1S/C16H17F2N3O3S2/c17-12-3-4-14(18)15(10-12)26(22,23)21-7-5-20(6-8-21)16(25)19-11-13-2-1-9-24-13/h1-4,9-10H,5-8,11H2,(H,19,25)