methyl 2-[(3-bromanyl-4-ethoxy-phenyl)carbonylcarbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: methyl 2-[(3-bromanyl-4-ethoxy-phenyl)carbonylcarbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[(3-bromo-4-ethoxy-benzoyl)carbamothioylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[[[(3-bromo-4-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-bromo-4-ethoxybenzoyl)carbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(3-bromo-4-ethoxy-benzoyl)thiocarbamoylamino]-4-methyl-thiazole-5-carboxylic acid methyl ester Formula: C16H16BrN3O4S2 MolecularWeight: 458.34994

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC(=C(S2)C(=O)OC)C)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NC(=C(S2)C(=O)OC)C)Br

InChI

InChI=1S/C16H16BrN3O4S2/c1-4-24-11-6-5-9(7-10(11)17)13(21)19-15(25)20-16-18-8(2)12(26-16)14(22)23-3/h5-7H,4H2,1-3H3,(H2,18,19,20,21,25)