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

Systemtic Name: methyl 2-[1-(4-butan-2-ylphenyl)propylcarbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-[1-(4-sec-butylphenyl)propylcarbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[1-(4-butan-2-ylphenyl)propylamino]-sulfanylidenemethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-(4-butan-2-ylphenyl)propylcarbamothioylamino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-[1-(4-sec-butylphenyl)propylthiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C26H37N3O3S2 MolecularWeight: 503.72028

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C26H37N3O3S2/c1-8-16(5)18-12-14-19(15-13-18)20(9-2)27-26(33)28-23-21(25(31)32-7)17(6)22(34-23)24(30)29(10-3)11-4/h12-16,20H,8-11H2,1-7H3,(H2,27,28,33)