ethyl 4-[[1-acetamido-2,2,2-tris(chloranyl)ethyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[1-acetamido-2,2,2-tris(chloranyl)ethyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[(1-acetamido-2,2,2-trichloro-ethyl)carbamothioylamino]benzoate CAS Name: 4-[[[(1-acetamido-2,2,2-trichloroethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(1-acetamido-2,2,2-trichloroethyl)carbamothioylamino]benzoate Traditional Name: 4-[(1-acetamido-2,2,2-trichloro-ethyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C14H16Cl3N3O3S MolecularWeight: 412.71914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16Cl3N3O3S/c1-3-23-11(22)9-4-6-10(7-5-9)19-13(24)20-12(14(15,16)17)18-8(2)21/h4-7,12H,3H2,1-2H3,(H,18,21)(H2,19,20,24)