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

Systemtic Name: 4-methyl-3-[(3,4,5-trimethoxyphenyl)carbonylcarbamothioylamino]benzoic acid Openeye Name: 4-methyl-3-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]benzoic acid CAS Name: 4-methyl-3-[[[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]benzoic acid Traditional Name: 4-methyl-3-[(3,4,5-trimethoxybenzoyl)thiocarbamoylamino]benzoic acid Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C19H20N2O6S/c1-10-5-6-11(18(23)24)7-13(10)20-19(28)21-17(22)12-8-14(25-2)16(27-4)15(9-12)26-3/h5-9H,1-4H3,(H,23,24)(H2,20,21,22,28)