propyl 4-[(2,6-dimethoxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: propyl 4-[(2,6-dimethoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: propyl 4-[(2,6-dimethoxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[(2,6-dimethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(2,6-dimethoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(2,6-dimethoxybenzoyl)thiocarbamoylamino]benzoic acid propyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC=C2OC)OC

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC=C2OC)OC

InChI

InChI=1S/C20H22N2O5S/c1-4-12-27-19(24)13-8-10-14(11-9-13)21-20(28)22-18(23)17-15(25-2)6-5-7-16(17)26-3/h5-11H,4,12H2,1-3H3,(H2,21,22,23,28)