methyl 2-[1-(4-tert-butylphenyl)ethylcarbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[1-(4-tert-butylphenyl)ethylcarbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[1-(4-tert-butylphenyl)ethylcarbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[1-(4-tert-butylphenyl)ethylamino]-sulfanylidenemethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-(4-tert-butylphenyl)ethylcarbamothioylamino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[1-(4-tert-butylphenyl)ethylthiocarbamoylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C25H35N3O3S2 MolecularWeight: 489.6937

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H35N3O3S2/c1-9-28(10-2)22(29)20-15(3)19(23(30)31-8)21(33-20)27-24(32)26-16(4)17-11-13-18(14-12-17)25(5,6)7/h11-14,16H,9-10H2,1-8H3,(H2,26,27,32)