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

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-[(3,4-dimethylphenyl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-[(3,4-dimethylphenyl)carbamothioylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[(3,4-dimethylanilino)-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-[(3,4-dimethylphenyl)carbamothioylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-[(3,4-dimethylphenyl)thiocarbamoylamino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S2/c1-7-24(8-2)19(25)17-14(5)16(20(26)27-6)18(29-17)23-21(28)22-15-10-9-12(3)13(4)11-15/h9-11H,7-8H2,1-6H3,(H2,22,23,28)