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

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

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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(CC)CC)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(CC)CC)C)C(=O)OC

InChI

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