2-[[[3-(trifluoromethyl)phenyl]carbamothioylamino]methylidene]propanediamide

Systemtic Name: 2-[[[3-(trifluoromethyl)phenyl]carbamothioylamino]methylidene]propanediamide Openeye Name: 2-[[[3-(trifluoromethyl)phenyl]carbamothioylamino]methylene]propanediamide CAS Name: 2-[[[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]amino]methylidene]propanediamide IUPAC Name: 2-[[[3-(trifluoromethyl)phenyl]carbamothioylamino]methylidene]propanediamide Traditional Name: 2-[[[3-(trifluoromethyl)phenyl]thiocarbamoylamino]methylene]malonamide Formula: C12H11F3N4O2S MolecularWeight: 332.30155

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=S)NC=C(C(=O)N)C(=O)N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=S)NC=C(C(=O)N)C(=O)N)C(F)(F)F

InChI

InChI=1S/C12H11F3N4O2S/c13-12(14,15)6-2-1-3-7(4-6)19-11(22)18-5-8(9(16)20)10(17)21/h1-5H,(H2,16,20)(H2,17,21)(H2,18,19,22)