1-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-3-[3-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-(4-methyl-3-piperidin-1-ylsulfonyl-phenyl)-3-[3-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-[4-methyl-3-(1-piperidylsulfonyl)phenyl]-3-[3-(trifluoromethyl)phenyl]thiourea CAS Name: 1-[4-methyl-3-(1-piperidinylsulfonyl)phenyl]-3-[3-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-[3-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-(4-methyl-3-piperidinosulfonyl-phenyl)-3-[3-(trifluoromethyl)phenyl]thiourea Formula: C20H22F3N3O2S2 MolecularWeight: 457.53279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C20H22F3N3O2S2/c1-14-8-9-17(13-18(14)30(27,28)26-10-3-2-4-11-26)25-19(29)24-16-7-5-6-15(12-16)20(21,22)23/h5-9,12-13H,2-4,10-11H2,1H3,(H2,24,25,29)