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

Systemtic Name: N-(3-chlorophenyl)-4-(3-fluorophenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3-chlorophenyl)-4-(3-fluorophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(3-chlorophenyl)-4-(3-fluorophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3-chlorophenyl)-4-(3-fluorophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(3-chlorophenyl)-4-(3-fluorophenyl)sulfonyl-piperazine-1-carbothioamide Formula: C17H17ClFN3O2S2 MolecularWeight: 413.917183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NC2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

C1CN(CCN1C(=S)NC2=CC(=CC=C2)Cl)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C17H17ClFN3O2S2/c18-13-3-1-5-15(11-13)20-17(25)21-7-9-22(10-8-21)26(23,24)16-6-2-4-14(19)12-16/h1-6,11-12H,7-10H2,(H,20,25)