ethyl 2-[(2-iodanylphenyl)carbonylcarbamothioylamino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[(2-iodanylphenyl)carbonylcarbamothioylamino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-(1,1-dimethylpropyl)-2-[(2-iodobenzoyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[(2-iodophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-iodobenzoyl)carbamothioylamino]-6-(2-methylbutan-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-amyl-2-[(2-iodobenzoyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C24H29IN2O3S2 MolecularWeight: 584.53313

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=S)NC(=O)C3=CC=CC=C3I

Isomeric SMILES

CCC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)OCC)NC(=S)NC(=O)C3=CC=CC=C3I

InChI

InChI=1S/C24H29IN2O3S2/c1-5-24(3,4)14-11-12-16-18(13-14)32-21(19(16)22(29)30-6-2)27-23(31)26-20(28)15-9-7-8-10-17(15)25/h7-10,14H,5-6,11-13H2,1-4H3,(H2,26,27,28,31)