2-methyl-3-[(3,4,5-triethoxyphenyl)carbonylcarbamothioylamino]benzoic acid

Systemtic Name: 2-methyl-3-[(3,4,5-triethoxyphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 2-methyl-3-[(3,4,5-triethoxybenzoyl)carbamothioylamino]benzoic acid CAS Name: 2-methyl-3-[[[[oxo-(3,4,5-triethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 2-methyl-3-[(3,4,5-triethoxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 2-methyl-3-[(3,4,5-triethoxybenzoyl)thiocarbamoylamino]benzoic acid 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=CC(=C2C)C(=O)O

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)NC2=CC=CC(=C2C)C(=O)O

InChI

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