2-methyl-N-[3-[2,2,2-tris(chloranyl)ethanoylcarbamothioylamino]phenyl]propanamide

Systemtic Name: 2-methyl-N-[3-[2,2,2-tris(chloranyl)ethanoylcarbamothioylamino]phenyl]propanamide Openeye Name: 2-methyl-N-[3-[(2,2,2-trichloroacetyl)carbamothioylamino]phenyl]propanamide CAS Name: 2-methyl-N-[3-[[sulfanylidene-[(2,2,2-trichloro-1-oxoethyl)amino]methyl]amino]phenyl]propanamide IUPAC Name: 2-methyl-N-[3-[(2,2,2-trichloroacetyl)carbamothioylamino]phenyl]propanamide Traditional Name: 2-methyl-N-[3-[(2,2,2-trichloroacetyl)thiocarbamoylamino]phenyl]propionamide Formula: C13H14Cl3N3O2S MolecularWeight: 382.69316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C(Cl)(Cl)Cl

Isomeric SMILES

CC(C)C(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C(Cl)(Cl)Cl

InChI

InChI=1S/C13H14Cl3N3O2S/c1-7(2)10(20)17-8-4-3-5-9(6-8)18-12(22)19-11(21)13(14,15)16/h3-7H,1-2H3,(H,17,20)(H2,18,19,21,22)