methyl 5-(diethylcarbamoyl)-2-(dihexylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-(dihexylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-(dihexylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[(dihexylamino)-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-(dihexylcarbamothioylamino)-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-(dihexylthiocarbamoylamino)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C25H43N3O3S2 MolecularWeight: 497.75722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C(=S)NC1=C(C(=C(S1)C(=O)N(CC)CC)C)C(=O)OC

Isomeric SMILES

CCCCCCN(CCCCCC)C(=S)NC1=C(C(=C(S1)C(=O)N(CC)CC)C)C(=O)OC

InChI

InChI=1S/C25H43N3O3S2/c1-7-11-13-15-17-28(18-16-14-12-8-2)25(32)26-22-20(24(30)31-6)19(5)21(33-22)23(29)27(9-3)10-4/h7-18H2,1-6H3,(H,26,32)