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

Systemtic Name: ethyl 4-[[1-benzamido-2,2,2-tris(chloranyl)ethyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[(1-benzamido-2,2,2-trichloro-ethyl)carbamothioylamino]benzoate CAS Name: 4-[[[(1-benzamido-2,2,2-trichloroethyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(1-benzamido-2,2,2-trichloroethyl)carbamothioylamino]benzoate Traditional Name: 4-[(1-benzamido-2,2,2-trichloro-ethyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C19H18Cl3N3O3S MolecularWeight: 474.78852

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)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H18Cl3N3O3S/c1-2-28-16(27)13-8-10-14(11-9-13)23-18(29)25-17(19(20,21)22)24-15(26)12-6-4-3-5-7-12/h3-11,17H,2H2,1H3,(H,24,26)(H2,23,25,29)