ethyl 4-[(2,6-dimethylphenyl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(2,6-dimethylphenyl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(2,6-dimethylphenyl)carbamothioylamino]benzoate CAS Name: 4-[[(2,6-dimethylanilino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2,6-dimethylphenyl)carbamothioylamino]benzoate Traditional Name: 4-[(2,6-dimethylphenyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C18H20N2O2S MolecularWeight: 328.4286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=CC=C2C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=CC=C2C)C

InChI

InChI=1S/C18H20N2O2S/c1-4-22-17(21)14-8-10-15(11-9-14)19-18(23)20-16-12(2)6-5-7-13(16)3/h5-11H,4H2,1-3H3,(H2,19,20,23)