5-aminocarbonyl-2-(diethylcarbamothioylamino)-4-methyl-thiophene-3-carboxylic acid

Systemtic Name: 5-aminocarbonyl-2-(diethylcarbamothioylamino)-4-methyl-thiophene-3-carboxylic acid Openeye Name: 5-carbamoyl-2-(diethylcarbamothioylamino)-4-methyl-thiophene-3-carboxylic acid CAS Name: 5-carbamoyl-2-[[diethylamino(sulfanylidene)methyl]amino]-4-methyl-3-thiophenecarboxylic acid IUPAC Name: 5-carbamoyl-2-(diethylcarbamothioylamino)-4-methylthiophene-3-carboxylic acid Traditional Name: 5-carbamoyl-2-(diethylthiocarbamoylamino)-4-methyl-3-thenoic acid Formula: C12H17N3O3S2 MolecularWeight: 315.41168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)NC1=C(C(=C(S1)C(=O)N)C)C(=O)O

Isomeric SMILES

CCN(CC)C(=S)NC1=C(C(=C(S1)C(=O)N)C)C(=O)O

InChI

InChI=1S/C12H17N3O3S2/c1-4-15(5-2)12(19)14-10-7(11(17)18)6(3)8(20-10)9(13)16/h4-5H2,1-3H3,(H2,13,16)(H,14,19)(H,17,18)