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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(trifluoromethyl)phenyl]carbamothioylamino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(trifluoromethyl)phenyl]carbamothioylamino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[sulfanylidene-[2-(trifluoromethyl)anilino]methyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(trifluoromethyl)phenyl]carbamothioylamino]thiourea Traditional Name: 1-piperonyl-3-[[2-(trifluoromethyl)phenyl]thiocarbamoylamino]thiourea Formula: C17H15F3N4O2S2 MolecularWeight: 428.45181

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC(=S)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NNC(=S)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C17H15F3N4O2S2/c18-17(19,20)11-3-1-2-4-12(11)22-16(28)24-23-15(27)21-8-10-5-6-13-14(7-10)26-9-25-13/h1-7H,8-9H2,(H2,21,23,27)(H2,22,24,28)