1-methyl-3-[[2-(trifluoromethyl)phenyl]carbamothioylamino]thiourea

Systemtic Name: 1-methyl-3-[[2-(trifluoromethyl)phenyl]carbamothioylamino]thiourea Openeye Name: 1-methyl-3-[[2-(trifluoromethyl)phenyl]carbamothioylamino]thiourea CAS Name: 1-methyl-3-[[sulfanylidene-[2-(trifluoromethyl)anilino]methyl]amino]thiourea IUPAC Name: 1-methyl-3-[[2-(trifluoromethyl)phenyl]carbamothioylamino]thiourea Traditional Name: 1-methyl-3-[[2-(trifluoromethyl)phenyl]thiocarbamoylamino]thiourea Formula: C10H11F3N4S2 MolecularWeight: 308.34635

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NNC(=S)NC1=CC=CC=C1C(F)(F)F

Isomeric SMILES

CNC(=S)NNC(=S)NC1=CC=CC=C1C(F)(F)F

InChI

InChI=1S/C10H11F3N4S2/c1-14-8(18)16-17-9(19)15-7-5-3-2-4-6(7)10(11,12)13/h2-5H,1H3,(H2,14,16,18)(H2,15,17,19)