2-[4-(4-methylpiperazin-1-yl)carbothioylphenoxy]-N-[3-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[4-(4-methylpiperazin-1-yl)carbothioylphenoxy]-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-(4-methylpiperazine-1-carbothioyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[4-[(4-methyl-1-piperazinyl)-sulfanylidenemethyl]phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-(4-methylpiperazine-1-carbothioyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[4-(4-methylpiperazine-1-carbothioyl)phenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C21H22F3N3O2S MolecularWeight: 437.47849

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=S)C2=CC=C(C=C2)OCC(=O)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CN1CCN(CC1)C(=S)C2=CC=C(C=C2)OCC(=O)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H22F3N3O2S/c1-26-9-11-27(12-10-26)20(30)15-5-7-18(8-6-15)29-14-19(28)25-17-4-2-3-16(13-17)21(22,23)24/h2-8,13H,9-12,14H2,1H3,(H,25,28)