4-(3-fluorophenyl)sulfonyl-N-methyl-piperazine-1-carbothioamide

Systemtic Name: 4-(3-fluorophenyl)sulfonyl-N-methyl-piperazine-1-carbothioamide Openeye Name: 4-(3-fluorophenyl)sulfonyl-N-methyl-piperazine-1-carbothioamide CAS Name: 4-(3-fluorophenyl)sulfonyl-N-methyl-1-piperazinecarbothioamide IUPAC Name: 4-(3-fluorophenyl)sulfonyl-N-methylpiperazine-1-carbothioamide Traditional Name: 4-(3-fluorophenyl)sulfonyl-N-methyl-piperazine-1-carbothioamide Formula: C12H16FN3O2S2 MolecularWeight: 317.402743

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)F

Isomeric SMILES

CNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)F

InChI

InChI=1S/C12H16FN3O2S2/c1-14-12(19)15-5-7-16(8-6-15)20(17,18)11-4-2-3-10(13)9-11/h2-4,9H,5-8H2,1H3,(H,14,19)