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

Systemtic Name: methyl 2-[(3-bromanyl-4-methoxy-phenyl)carbonylcarbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[(3-bromo-4-methoxy-benzoyl)carbamothioylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[[[(3-bromo-4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-bromo-4-methoxybenzoyl)carbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(3-bromo-4-methoxy-benzoyl)thiocarbamoylamino]-4-methyl-thiazole-5-carboxylic acid methyl ester Formula: C15H14BrN3O4S2 MolecularWeight: 444.32336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14BrN3O4S2/c1-7-11(13(21)23-3)25-15(17-7)19-14(24)18-12(20)8-4-5-10(22-2)9(16)6-8/h4-6H,1-3H3,(H2,17,18,19,20,24)