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

Systemtic Name: ethyl 2-[(3-bromanyl-4-butoxy-phenyl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(3-bromo-4-butoxy-benzoyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[(3-bromo-4-butoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3-bromo-4-butoxybenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(3-bromo-4-butoxy-benzoyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H27BrN2O4S2 MolecularWeight: 539.50548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OCC)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OCC)Br

InChI

InChI=1S/C23H27BrN2O4S2/c1-3-5-12-30-17-11-10-14(13-16(17)24)20(27)25-23(31)26-21-19(22(28)29-4-2)15-8-6-7-9-18(15)32-21/h10-11,13H,3-9,12H2,1-2H3,(H2,25,26,27,31)