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

Systemtic Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-(4-methoxyphenyl)piperazine-1-carbothioamide Openeye Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-(4-methoxyphenyl)piperazine-1-carbothioamide CAS Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-(4-methoxyphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-(4-methoxyphenyl)piperazine-1-carbothioamide Traditional Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-(4-methoxyphenyl)piperazine-1-carbothioamide Formula: C20H19F6N3O3S2 MolecularWeight: 527.503579

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C20H19F6N3O3S2/c1-32-16-4-2-15(3-5-16)27-18(33)28-6-8-29(9-7-28)34(30,31)17-11-13(19(21,22)23)10-14(12-17)20(24,25)26/h2-5,10-12H,6-9H2,1H3,(H,27,33)