methyl 5-(diethylcarbamoyl)-4-methyl-2-[1-(4-methylphenyl)propylcarbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[1-(4-methylphenyl)propylcarbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[1-(p-tolyl)propylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[[1-(4-methylphenyl)propylamino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[1-(4-methylphenyl)propylcarbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-[1-(p-tolyl)propylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)C)NC(=S)NC2=C(C(=C(S2)C(=O)N(CC)CC)C)C(=O)OC

Isomeric SMILES

CCC(C1=CC=C(C=C1)C)NC(=S)NC2=C(C(=C(S2)C(=O)N(CC)CC)C)C(=O)OC

InChI

InChI=1S/C23H31N3O3S2/c1-7-17(16-12-10-14(4)11-13-16)24-23(30)25-20-18(22(28)29-6)15(5)19(31-20)21(27)26(8-2)9-3/h10-13,17H,7-9H2,1-6H3,(H2,24,25,30)