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

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(4-methylphenyl)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(p-tolylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[(4-methylanilino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(4-methylphenyl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-(p-tolylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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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(=O)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3S2/c1-6-23(7-2)18(24)16-13(4)15(19(25)26-5)17(28-16)22-20(27)21-14-10-8-12(3)9-11-14/h8-11H,6-7H2,1-5H3,(H2,21,22,27)