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

Systemtic Name: 1-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-[3-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-[4-[(2-ethyl-1-piperidyl)sulfonyl]phenyl]-3-[3-(trifluoromethyl)phenyl]thiourea CAS Name: 1-[4-[(2-ethyl-1-piperidinyl)sulfonyl]phenyl]-3-[3-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3-[3-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-[4-(2-ethylpiperidino)sulfonylphenyl]-3-[3-(trifluoromethyl)phenyl]thiourea Formula: C21H24F3N3O2S2 MolecularWeight: 471.55937

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CCC1CCCCN1S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H24F3N3O2S2/c1-2-18-8-3-4-13-27(18)31(28,29)19-11-9-16(10-12-19)25-20(30)26-17-7-5-6-15(14-17)21(22,23)24/h5-7,9-12,14,18H,2-4,8,13H2,1H3,(H2,25,26,30)