S-[[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino] 4-methylpiperazine-1-carbothioate

Systemtic Name: S-[[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino] 4-methylpiperazine-1-carbothioate Openeye Name: S-[[4-[3-(trifluoromethyl)phenyl]thiazol-2-yl]amino] 4-methylpiperazine-1-carbothioate CAS Name: 4-methyl-1-piperazinecarbothioic acid S-[[4-[3-(trifluoromethyl)phenyl]-2-thiazolyl]amino] ester IUPAC Name: S-[[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]amino] 4-methylpiperazine-1-carbothioate Traditional Name: 4-methylpiperazine-1-carbothioic acid S-[[4-[3-(trifluoromethyl)phenyl]thiazol-2-yl]amino] ester Formula: C16H17F3N4OS2 MolecularWeight: 402.45759

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)SNC2=NC(=CS2)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CN1CCN(CC1)C(=O)SNC2=NC(=CS2)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C16H17F3N4OS2/c1-22-5-7-23(8-6-22)15(24)26-21-14-20-13(10-25-14)11-3-2-4-12(9-11)16(17,18)19/h2-4,9-10H,5-8H2,1H3,(H,20,21)