1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-3-[2-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-3-[2-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-[4-[(2-methyl-1-piperidyl)sulfonyl]phenyl]-3-[2-(trifluoromethyl)phenyl]thiourea CAS Name: 1-[4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl]-3-[2-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]-3-[2-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-[4-(2-methylpiperidino)sulfonylphenyl]-3-[2-(trifluoromethyl)phenyl]thiourea Formula: C20H22F3N3O2S2 MolecularWeight: 457.53279

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H22F3N3O2S2/c1-14-6-4-5-13-26(14)30(27,28)16-11-9-15(10-12-16)24-19(29)25-18-8-3-2-7-17(18)20(21,22)23/h2-3,7-12,14H,4-6,13H2,1H3,(H2,24,25,29)