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

Systemtic Name: methyl 2-[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(2-bromo-4-ethyl-phenoxy)acetyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[2-(2-bromo-4-ethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2-bromo-4-ethylphenoxy)acetyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(2-bromo-4-ethyl-phenoxy)acetyl]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H23BrN2O4S2 MolecularWeight: 511.45232

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC)Br

InChI

InChI=1S/C21H23BrN2O4S2/c1-3-12-8-9-15(14(22)10-12)28-11-17(25)23-21(29)24-19-18(20(26)27-2)13-6-4-5-7-16(13)30-19/h8-10H,3-7,11H2,1-2H3,(H2,23,24,25,29)