methyl 2-[(3,4-dimethoxyphenyl)carbonylcarbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-[(3,4-dimethoxyphenyl)carbonylcarbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[(3,4-dimethoxybenzoyl)carbamothioylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3,4-dimethoxybenzoyl)carbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-(veratroylthiocarbamoylamino)thiazole-5-carboxylic acid methyl ester Formula: C16H17N3O5S2 MolecularWeight: 395.45328

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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)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O5S2/c1-8-12(14(21)24-4)26-16(17-8)19-15(25)18-13(20)9-5-6-10(22-2)11(7-9)23-3/h5-7H,1-4H3,(H2,17,18,19,20,25)