4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-(2-methoxyethyl)piperazine-1-carbothioamide

Systemtic Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-(2-methoxyethyl)piperazine-1-carbothioamide Openeye Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-(2-methoxyethyl)piperazine-1-carbothioamide CAS Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-(2-methoxyethyl)-1-piperazinecarbothioamide IUPAC Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-(2-methoxyethyl)piperazine-1-carbothioamide Traditional Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-(2-methoxyethyl)piperazine-1-carbothioamide Formula: C16H19F6N3O3S2 MolecularWeight: 479.460779

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

COCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H19F6N3O3S2/c1-28-7-2-23-14(29)24-3-5-25(6-4-24)30(26,27)13-9-11(15(17,18)19)8-12(10-13)16(20,21)22/h8-10H,2-7H2,1H3,(H,23,29)