methyl 4-[2-(2-bromanyl-4-methyl-phenoxy)ethanoylcarbamothioylamino]benzoate

Systemtic Name: methyl 4-[2-(2-bromanyl-4-methyl-phenoxy)ethanoylcarbamothioylamino]benzoate Openeye Name: methyl 4-[[2-(2-bromo-4-methyl-phenoxy)acetyl]carbamothioylamino]benzoate CAS Name: 4-[[[[2-(2-bromo-4-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(2-bromo-4-methylphenoxy)acetyl]carbamothioylamino]benzoate Traditional Name: 4-[[2-(2-bromo-4-methyl-phenoxy)acetyl]thiocarbamoylamino]benzoic acid methyl ester Formula: C18H17BrN2O4S MolecularWeight: 437.30758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)C(=O)OC)Br

InChI

InChI=1S/C18H17BrN2O4S/c1-11-3-8-15(14(19)9-11)25-10-16(22)21-18(26)20-13-6-4-12(5-7-13)17(23)24-2/h3-9H,10H2,1-2H3,(H2,20,21,22,26)