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

Systemtic Name: 1-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamothioylamino]thiourea Openeye Name: 1-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamothioylamino]thiourea CAS Name: 1-[[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]amino]-3-[3-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]carbamothioylamino]thiourea Traditional Name: 1-[3-(trifluoromethyl)phenyl]-3-[[3-(trifluoromethyl)phenyl]thiocarbamoylamino]thiourea Formula: C16H12F6N4S2 MolecularWeight: 438.413699

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NNC(=S)NC2=CC=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NNC(=S)NC2=CC=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H12F6N4S2/c17-15(18,19)9-3-1-5-11(7-9)23-13(27)25-26-14(28)24-12-6-2-4-10(8-12)16(20,21)22/h1-8H,(H2,23,25,27)(H2,24,26,28)