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

Systemtic Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-(1-methoxypropan-2-yl)piperazine-1-carbothioamide Openeye Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-(2-methoxy-1-methyl-ethyl)piperazine-1-carbothioamide CAS Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-(1-methoxypropan-2-yl)-1-piperazinecarbothioamide IUPAC Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-(1-methoxypropan-2-yl)piperazine-1-carbothioamide Traditional Name: 4-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-N-(2-methoxy-1-methyl-ethyl)piperazine-1-carbothioamide Formula: C17H21F6N3O3S2 MolecularWeight: 493.487359

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)NC(=S)N1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(COC)NC(=S)N1CCN(CC1)S(=O)(=O)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C17H21F6N3O3S2/c1-11(10-29-2)24-15(30)25-3-5-26(6-4-25)31(27,28)14-8-12(16(18,19)20)7-13(9-14)17(21,22)23/h7-9,11H,3-6,10H2,1-2H3,(H,24,30)