methyl 5-(diethylcarbamoyl)-4-methyl-2-(thiophen-2-ylmethylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(thiophen-2-ylmethylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(2-thienylmethylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-[[sulfanylidene-(thiophen-2-ylmethylamino)methyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-4-methyl-2-(thiophen-2-ylmethylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-4-methyl-2-(2-thenylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C18H23N3O3S3 MolecularWeight: 425.58852

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NCC2=CC=CS2)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NCC2=CC=CS2)C(=O)OC)C

InChI

InChI=1S/C18H23N3O3S3/c1-5-21(6-2)16(22)14-11(3)13(17(23)24-4)15(27-14)20-18(25)19-10-12-8-7-9-26-12/h7-9H,5-6,10H2,1-4H3,(H2,19,20,25)