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

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-(2-dimethylaminoethylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-(2-dimethylaminoethylcarbamothioylamino)-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[(2-dimethylaminoethylamino)-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-(2-dimethylaminoethylcarbamothioylamino)-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-(2-dimethylaminoethylthiocarbamoylamino)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C17H28N4O3S2 MolecularWeight: 400.55922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H28N4O3S2/c1-7-21(8-2)15(22)13-11(3)12(16(23)24-6)14(26-13)19-17(25)18-9-10-20(4)5/h7-10H2,1-6H3,(H2,18,19,25)