methyl 2-[1-(4-butan-2-ylphenyl)ethylcarbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[1-(4-butan-2-ylphenyl)ethylcarbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[1-(4-sec-butylphenyl)ethylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[1-(4-butan-2-ylphenyl)ethylamino]-sulfanylidenemethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-(4-butan-2-ylphenyl)ethylcarbamothioylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-[1-(4-sec-butylphenyl)ethylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C23H31N3O3S2 MolecularWeight: 461.64054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O3S2/c1-8-13(2)16-9-11-17(12-10-16)15(4)24-23(30)25-20-18(22(28)29-7)14(3)19(31-20)21(27)26(5)6/h9-13,15H,8H2,1-7H3,(H2,24,25,30)