ethyl 4-[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(2,4-dibromo-6-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(2,4-dibromo-6-methylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C19H18Br2N2O4S MolecularWeight: 530.23022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)COC2=C(C=C(C=C2C)Br)Br

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)COC2=C(C=C(C=C2C)Br)Br

InChI

InChI=1S/C19H18Br2N2O4S/c1-3-26-18(25)12-4-6-14(7-5-12)22-19(28)23-16(24)10-27-17-11(2)8-13(20)9-15(17)21/h4-9H,3,10H2,1-2H3,(H2,22,23,24,28)