methyl 2-[[3-bromanyl-4-(2-methoxyethoxy)phenyl]carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[3-bromanyl-4-(2-methoxyethoxy)phenyl]carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[3-bromo-4-(2-methoxyethoxy)benzoyl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[[3-bromo-4-(2-methoxyethoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[3-bromo-4-(2-methoxyethoxy)benzoyl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[3-bromo-4-(2-methoxyethoxy)benzoyl]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C21H23BrN2O5S2 MolecularWeight: 527.45172

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC)Br

Isomeric SMILES

COCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC)Br

InChI

InChI=1S/C21H23BrN2O5S2/c1-27-9-10-29-15-8-7-12(11-14(15)22)18(25)23-21(30)24-19-17(20(26)28-2)13-5-3-4-6-16(13)31-19/h7-8,11H,3-6,9-10H2,1-2H3,(H2,23,24,25,30)