1-(1,3-benzodioxol-5-ylmethyl)-3-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(1-piperidyl)-5-(trifluoromethyl)phenyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(1-piperidinyl)-5-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-[2-piperidino-5-(trifluoromethyl)phenyl]-3-piperonyl-thiourea Formula: C21H22F3N3O2S MolecularWeight: 437.47849

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H22F3N3O2S/c22-21(23,24)15-5-6-17(27-8-2-1-3-9-27)16(11-15)26-20(30)25-12-14-4-7-18-19(10-14)29-13-28-18/h4-7,10-11H,1-3,8-9,12-13H2,(H2,25,26,30)