methyl 4-[(3,4,5-triethoxyphenyl)carbonylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[(3,4,5-triethoxyphenyl)carbonylcarbamothioylamino]benzoate Openeye Name: methyl 4-[(3,4,5-triethoxybenzoyl)carbamothioylamino]benzoate CAS Name: 4-[[[[oxo-(3,4,5-triethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(3,4,5-triethoxybenzoyl)carbamothioylamino]benzoate Traditional Name: 4-[(3,4,5-triethoxybenzoyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C22H26N2O6S/c1-5-28-17-12-15(13-18(29-6-2)19(17)30-7-3)20(25)24-22(31)23-16-10-8-14(9-11-16)21(26)27-4/h8-13H,5-7H2,1-4H3,(H2,23,24,25,31)