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

Systemtic Name: 4-[2,5-bis(fluoranyl)phenyl]sulfonyl-N-(phenylmethyl)piperazine-1-carbothioamide Openeye Name: N-benzyl-4-(2,5-difluorophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: 4-(2,5-difluorophenyl)sulfonyl-N-(phenylmethyl)-1-piperazinecarbothioamide IUPAC Name: N-benzyl-4-(2,5-difluorophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-benzyl-4-(2,5-difluorophenyl)sulfonyl-piperazine-1-carbothioamide Formula: C18H19F2N3O2S2 MolecularWeight: 411.489166

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NCC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)F)F

Isomeric SMILES

C1CN(CCN1C(=S)NCC2=CC=CC=C2)S(=O)(=O)C3=C(C=CC(=C3)F)F

InChI

InChI=1S/C18H19F2N3O2S2/c19-15-6-7-16(20)17(12-15)27(24,25)23-10-8-22(9-11-23)18(26)21-13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,21,26)