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

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-(heptylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-(heptylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[(heptylamino)-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-(heptylcarbamothioylamino)-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-(heptylthiocarbamoylamino)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C20H33N3O3S2 MolecularWeight: 427.62432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=S)NC1=C(C(=C(S1)C(=O)N(CC)CC)C)C(=O)OC

Isomeric SMILES

CCCCCCCNC(=S)NC1=C(C(=C(S1)C(=O)N(CC)CC)C)C(=O)OC

InChI

InChI=1S/C20H33N3O3S2/c1-6-9-10-11-12-13-21-20(27)22-17-15(19(25)26-5)14(4)16(28-17)18(24)23(7-2)8-3/h6-13H2,1-5H3,(H2,21,22,27)