ethyl 4-(3,4-dimethoxyphenyl)-2-[(2-iodanylphenyl)carbonylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-2-[(2-iodanylphenyl)carbonylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethoxyphenyl)-2-[(2-iodobenzoyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-2-[[[[(2-iodophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethoxyphenyl)-2-[(2-iodobenzoyl)carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-2-[(2-iodobenzoyl)thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H23IN2O5S2 MolecularWeight: 610.48429

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC(=C(C=C2)OC)OC)C)NC(=S)NC(=O)C3=CC=CC=C3I

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC(=C(C=C2)OC)OC)C)NC(=S)NC(=O)C3=CC=CC=C3I

InChI

InChI=1S/C24H23IN2O5S2/c1-5-32-23(29)20-19(14-10-11-17(30-3)18(12-14)31-4)13(2)34-22(20)27-24(33)26-21(28)15-8-6-7-9-16(15)25/h6-12H,5H2,1-4H3,(H2,26,27,28,33)