methyl 5-(diethylcarbamoyl)-2-[3-(dimethylamino)propylcarbamothioylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-[3-(dimethylamino)propylcarbamothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-[3-(dimethylamino)propylcarbamothioylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[[3-(dimethylamino)propylamino]-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-[3-(dimethylamino)propylcarbamothioylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-[3-(dimethylamino)propylthiocarbamoylamino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H30N4O3S2 MolecularWeight: 414.5858

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NCCCN(C)C)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NCCCN(C)C)C(=O)OC)C

InChI

InChI=1S/C18H30N4O3S2/c1-7-22(8-2)16(23)14-12(3)13(17(24)25-6)15(27-14)20-18(26)19-10-9-11-21(4)5/h7-11H2,1-6H3,(H2,19,20,26)