2-[2,4-bis(chloranyl)phenoxy]-N-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]propanamide

Systemtic Name: 2-[2,4-bis(chloranyl)phenoxy]-N-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]propanamide Openeye Name: 2-(2,4-dichlorophenoxy)-N-[[2-(1-piperidyl)-5-(trifluoromethyl)phenyl]carbamothioyl]propanamide CAS Name: 2-(2,4-dichlorophenoxy)-N-[[2-(1-piperidinyl)-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]propanamide IUPAC Name: 2-(2,4-dichlorophenoxy)-N-[[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]carbamothioyl]propanamide Traditional Name: 2-(2,4-dichlorophenoxy)-N-[[2-piperidino-5-(trifluoromethyl)phenyl]thiocarbamoyl]propionamide Formula: C22H22Cl2F3N3O2S MolecularWeight: 520.39519

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=S)NC1=C(C=CC(=C1)C(F)(F)F)N2CCCCC2)OC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C(=O)NC(=S)NC1=C(C=CC(=C1)C(F)(F)F)N2CCCCC2)OC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H22Cl2F3N3O2S/c1-13(32-19-8-6-15(23)12-16(19)24)20(31)29-21(33)28-17-11-14(22(25,26)27)5-7-18(17)30-9-3-2-4-10-30/h5-8,11-13H,2-4,9-10H2,1H3,(H2,28,29,31,33)