N-(3-chloranyl-4-fluoranyl-phenyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-(phenylsulfonyl)piperazine-1-carbothioamide Openeye Name: 4-(benzenesulfonyl)-N-(3-chloro-4-fluoro-phenyl)piperazine-1-carbothioamide CAS Name: 4-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)piperazine-1-carbothioamide Traditional Name: 4-besyl-N-(3-chloro-4-fluoro-phenyl)piperazine-1-carbothioamide Formula: C17H17ClFN3O2S2 MolecularWeight: 413.917183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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