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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-4-(4-chlorophenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-4-(4-chlorophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-4-(4-chlorophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-4-(4-chlorophenyl)sulfonyl-piperazine-1-carbothioamide Formula: C17H16Cl2FN3O2S2 MolecularWeight: 448.362243

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

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