2-[2-(4-carbamothioyl-2-methyl-phenyl)-2-piperazin-1-yl-piperidin-1-yl]ethanoate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 2-[2-(4-carbamothioyl-2-methyl-phenyl)-2-piperazin-1-yl-piperidin-1-yl]ethanoate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 2-[2-(4-carbamothioyl-2-methyl-phenyl)-2-piperazin-1-yl-1-piperidyl]acetate; 2,2,2-trifluoroacetic acid CAS Name: 2-[2-(4-carbamothioyl-2-methylphenyl)-2-(1-piperazinyl)-1-piperidinyl]acetate; 2,2,2-trifluoroacetic acid IUPAC Name: 2-[2-(4-carbamothioyl-2-methylphenyl)-2-piperazin-1-ylpiperidin-1-yl]acetate; 2,2,2-trifluoroacetic acid Traditional Name: 2-[2-(2-methyl-4-thiocarbamoyl-phenyl)-2-piperazino-piperidino]acetate; 2,2,2-trifluoroacetic acid Formula: C21H28F3N4O4S- MolecularWeight: 489.53163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=S)N)C2(CCCCN2CC(=O)[O-])N3CCNCC3.C(=O)(C(F)(F)F)O

Isomeric SMILES

CC1=C(C=CC(=C1)C(=S)N)C2(CCCCN2CC(=O)[O-])N3CCNCC3.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C19H28N4O2S.C2HF3O2/c1-14-12-15(18(20)26)4-5-16(14)19(22-10-7-21-8-11-22)6-2-3-9-23(19)13-17(24)25;3-2(4,5)1(6)7/h4-5,12,21H,2-3,6-11,13H2,1H3,(H2,20,26)(H,24,25);(H,6,7)/p-1