methyl 5-(diethylcarbamoyl)-2-[(3-ethoxycarbonylphenyl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-[(3-ethoxycarbonylphenyl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-[(3-ethoxycarbonylphenyl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[(3-ethoxycarbonylanilino)-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-[(3-ethoxycarbonylphenyl)carbamothioylamino]-4-methylthiophene-3-carboxylate Traditional Name: 2-[(3-carbethoxyphenyl)thiocarbamoylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H27N3O5S2 MolecularWeight: 477.59688

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC=CC(=C2)C(=O)OCC)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NC2=CC=CC(=C2)C(=O)OCC)C(=O)OC)C

InChI

InChI=1S/C22H27N3O5S2/c1-6-25(7-2)19(26)17-13(4)16(21(28)29-5)18(32-17)24-22(31)23-15-11-9-10-14(12-15)20(27)30-8-3/h9-12H,6-8H2,1-5H3,(H2,23,24,31)