methyl 2-[2-(4-bromanyl-2-chloranyl-phenoxy)ethanoylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(4-bromanyl-2-chloranyl-phenoxy)ethanoylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-bromo-2-chloro-phenoxy)acetyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[2-(4-bromo-2-chlorophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromo-2-chlorophenoxy)acetyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromo-2-chloro-phenoxy)acetyl]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C19H18BrClN2O4S2 MolecularWeight: 517.84422

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)COC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)COC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C19H18BrClN2O4S2/c1-26-18(25)16-11-4-2-3-5-14(11)29-17(16)23-19(28)22-15(24)9-27-13-7-6-10(20)8-12(13)21/h6-8H,2-5,9H2,1H3,(H2,22,23,24,28)