ethyl 4-[(2,5-dimethoxyphenyl)carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[(2,5-dimethoxyphenyl)carbamothioylamino]benzoate Openeye Name: ethyl 4-[(2,5-dimethoxyphenyl)carbamothioylamino]benzoate CAS Name: 4-[[(2,5-dimethoxyanilino)-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2,5-dimethoxyphenyl)carbamothioylamino]benzoate Traditional Name: 4-[(2,5-dimethoxyphenyl)thiocarbamoylamino]benzoic acid ethyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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(=C2)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=CC(=C2)OC)OC

InChI

InChI=1S/C18H20N2O4S/c1-4-24-17(21)12-5-7-13(8-6-12)19-18(25)20-15-11-14(22-2)9-10-16(15)23-3/h5-11H,4H2,1-3H3,(H2,19,20,25)