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

Systemtic Name: N-[2,5-bis(fluoranyl)phenyl]-4-(4-chlorophenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: 4-(4-chlorophenyl)sulfonyl-N-(2,5-difluorophenyl)piperazine-1-carbothioamide CAS Name: 4-(4-chlorophenyl)sulfonyl-N-(2,5-difluorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-chlorophenyl)sulfonyl-N-(2,5-difluorophenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-chlorophenyl)sulfonyl-N-(2,5-difluorophenyl)piperazine-1-carbothioamide Formula: C17H16ClF2N3O2S2 MolecularWeight: 431.907646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16ClF2N3O2S2/c18-12-1-4-14(5-2-12)27(24,25)23-9-7-22(8-10-23)17(26)21-16-11-13(19)3-6-15(16)20/h1-6,11H,7-10H2,(H,21,26)