methyl 3-[[(3,4,5-trimethoxyphenyl)carbonylamino]carbamothioylamino]thiophene-2-carboxylate

Systemtic Name: methyl 3-[[(3,4,5-trimethoxyphenyl)carbonylamino]carbamothioylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioylamino]thiophene-2-carboxylate CAS Name: 3-[[[[oxo-(3,4,5-trimethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[(3,4,5-trimethoxybenzoyl)amino]carbamothioylamino]thiophene-2-carboxylate Traditional Name: 3-[[(3,4,5-trimethoxybenzoyl)amino]thiocarbamoylamino]thiophene-2-carboxylic acid methyl ester Formula: C17H19N3O6S2 MolecularWeight: 425.47926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)NC2=C(SC=C2)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NNC(=S)NC2=C(SC=C2)C(=O)OC

InChI

InChI=1S/C17H19N3O6S2/c1-23-11-7-9(8-12(24-2)13(11)25-3)15(21)19-20-17(27)18-10-5-6-28-14(10)16(22)26-4/h5-8H,1-4H3,(H,19,21)(H2,18,20,27)