N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-(4-chlorophenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-4-(4-chlorophenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: 4-(4-chlorophenyl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide CAS Name: 4-(4-chlorophenyl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-chlorophenyl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Traditional Name: 4-(4-chlorophenyl)sulfonyl-N-[4-chloro-3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide Formula: C18H16Cl2F3N3O2S2 MolecularWeight: 498.36975

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16Cl2F3N3O2S2/c19-12-1-4-14(5-2-12)30(27,28)26-9-7-25(8-10-26)17(29)24-13-3-6-16(20)15(11-13)18(21,22)23/h1-6,11H,7-10H2,(H,24,29)