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

Systemtic Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-(3-chloranyl-4-methyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-(3-chloro-4-methyl-phenyl)piperazine-1-carbothioamide CAS Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-(3-chloro-4-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-(3-chloro-4-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-(3-chloro-4-methyl-phenyl)piperazine-1-carbothioamide Formula: C20H18ClF6N3O2S2 MolecularWeight: 545.949239

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)Cl

InChI

InChI=1S/C20H18ClF6N3O2S2/c1-12-2-3-15(11-17(12)21)28-18(33)29-4-6-30(7-5-29)34(31,32)16-9-13(19(22,23)24)8-14(10-16)20(25,26)27/h2-3,8-11H,4-7H2,1H3,(H,28,33)