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

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-(2-ethylhexylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-(2-ethylhexylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[(2-ethylhexylamino)-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-(2-ethylhexylcarbamothioylamino)-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-(2-ethylhexylthiocarbamoylamino)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H35N3O3S2 MolecularWeight: 441.6509

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)NC1=C(C(=C(S1)C(=O)N(CC)CC)C)C(=O)OC

Isomeric SMILES

CCCCC(CC)CNC(=S)NC1=C(C(=C(S1)C(=O)N(CC)CC)C)C(=O)OC

InChI

InChI=1S/C21H35N3O3S2/c1-7-11-12-15(8-2)13-22-21(28)23-18-16(20(26)27-6)14(5)17(29-18)19(25)24(9-3)10-4/h15H,7-13H2,1-6H3,(H2,22,23,28)