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

Systemtic Name: methyl 2-[(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: methyl 2-[(5-bromo-2-methoxy-3-methyl-benzoyl)carbamothioylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[[[(5-bromo-2-methoxy-3-methylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-thiazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[(5-bromo-2-methoxy-3-methylbenzoyl)carbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(5-bromo-2-methoxy-3-methyl-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:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=NC(=C(S2)C(=O)OC)C)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=NC(=C(S2)C(=O)OC)C)OC

InChI

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