methyl 5-(diethylcarbamoyl)-2-[1-(2,5-dimethylphenyl)ethylcarbamothioylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-[1-(2,5-dimethylphenyl)ethylcarbamothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-[1-(2,5-dimethylphenyl)ethylcarbamothioylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[[1-(2,5-dimethylphenyl)ethylamino]-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-[1-(2,5-dimethylphenyl)ethylcarbamothioylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-[1-(2,5-dimethylphenyl)ethylthiocarbamoylamino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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