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

Systemtic Name: ethyl 2-[(5-bromanyl-2-methoxy-3-methyl-phenyl)carbonylcarbamothioylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C17H18BrN3O4S2 MolecularWeight: 472.37652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=S)NC(=O)C2=CC(=CC(=C2OC)C)Br)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=S)NC(=O)C2=CC(=CC(=C2OC)C)Br)C

InChI

InChI=1S/C17H18BrN3O4S2/c1-5-25-15(23)13-9(3)19-17(27-13)21-16(26)20-14(22)11-7-10(18)6-8(2)12(11)24-4/h6-7H,5H2,1-4H3,(H2,19,20,21,22,26)