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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H22F3N3O2S2/c1-14-3-2-12-26(13-14)30(27,28)18-10-8-17(9-11-18)25-19(29)24-16-6-4-15(5-7-16)20(21,22)23/h4-11,14H,2-3,12-13H2,1H3,(H2,24,25,29)