4-methyl-2-[(3,4,5-trimethoxyphenyl)carbonylcarbamothioylamino]-1,3-thiazole-5-carboxylic acid

Systemtic Name: 4-methyl-2-[(3,4,5-trimethoxyphenyl)carbonylcarbamothioylamino]-1,3-thiazole-5-carboxylic acid Openeye Name: 4-methyl-2-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]thiazole-5-carboxylic acid CAS Name: 4-methyl-2-[[[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]-5-thiazolecarboxylic acid IUPAC Name: 4-methyl-2-[(3,4,5-trimethoxybenzoyl)carbamothioylamino]-1,3-thiazole-5-carboxylic acid Traditional Name: 4-methyl-2-[(3,4,5-trimethoxybenzoyl)thiocarbamoylamino]thiazole-5-carboxylic acid Formula: C16H17N3O6S2 MolecularWeight: 411.45268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)NC(=S)NC(=O)C2=CC(=C(C(=C2)OC)OC)OC)C(=O)O

InChI

InChI=1S/C16H17N3O6S2/c1-7-12(14(21)22)27-16(17-7)19-15(26)18-13(20)8-5-9(23-2)11(25-4)10(6-8)24-3/h5-6H,1-4H3,(H,21,22)(H2,17,18,19,20,26)