N-[3,5-bis(chloranyl)phenyl]-4-(4-fluorophenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-[3,5-bis(chloranyl)phenyl]-4-(4-fluorophenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3,5-dichlorophenyl)-4-(4-fluorophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(3,5-dichlorophenyl)-4-(4-fluorophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3,5-dichlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(3,5-dichlorophenyl)-4-(4-fluorophenyl)sulfonyl-piperazine-1-carbothioamide Formula: C17H16Cl2FN3O2S2 MolecularWeight: 448.362243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16Cl2FN3O2S2/c18-12-9-13(19)11-15(10-12)21-17(26)22-5-7-23(8-6-22)27(24,25)16-3-1-14(20)2-4-16/h1-4,9-11H,5-8H2,(H,21,26)