3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]thiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]thiourea Traditional Name: 1-methyl-3-piperonyl-1-[4-(trifluoromethyl)benzyl]thiourea Formula: C18H17F3N2O2S MolecularWeight: 382.39999

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)C(F)(F)F)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CN(CC1=CC=C(C=C1)C(F)(F)F)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H17F3N2O2S/c1-23(10-12-2-5-14(6-3-12)18(19,20)21)17(26)22-9-13-4-7-15-16(8-13)25-11-24-15/h2-8H,9-11H2,1H3,(H,22,26)