methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(2-thiophen-2-ylethanoylamino)carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[(2-thiophen-2-ylethanoylamino)carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[[2-(2-thienyl)acetyl]amino]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-[[[(1-oxo-2-thiophen-2-ylethyl)hydrazo]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-[[(2-thiophen-2-ylacetyl)amino]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-[[[2-(2-thienyl)acetyl]amino]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C17H20N4O4S3 MolecularWeight: 440.5601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)CC2=CC=CS2)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)CC2=CC=CS2)C(=O)N(C)C

InChI

InChI=1S/C17H20N4O4S3/c1-9-12(16(24)25-4)14(28-13(9)15(23)21(2)3)18-17(26)20-19-11(22)8-10-6-5-7-27-10/h5-7H,8H2,1-4H3,(H,19,22)(H2,18,20,26)