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

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(4-methylphenyl)methylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(p-tolylmethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[[(4-methylphenyl)methylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[(4-methylphenyl)methylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-[(4-methylbenzyl)thiocarbamoylamino]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)NCC2=CC=C(C=C2)C)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NCC2=CC=C(C=C2)C)C(=O)OC)C

InChI

InChI=1S/C21H27N3O3S2/c1-6-24(7-2)19(25)17-14(4)16(20(26)27-5)18(29-17)23-21(28)22-12-15-10-8-13(3)9-11-15/h8-11H,6-7,12H2,1-5H3,(H2,22,23,28)