methyl 2-[[(5-chloranylthiophen-2-yl)carbonylamino]carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(5-chloranylthiophen-2-yl)carbonylamino]carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(5-chlorothiophene-2-carbonyl)amino]carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[[(5-chloro-2-thiophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(5-chlorothiophene-2-carbonyl)amino]carbamothioylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[(5-chlorothiophene-2-carbonyl)amino]thiocarbamoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C16H17ClN4O4S3 MolecularWeight: 460.97858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=CC=C(S2)Cl)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)C2=CC=C(S2)Cl)C(=O)N(C)C

InChI

InChI=1S/C16H17ClN4O4S3/c1-7-10(15(24)25-4)13(28-11(7)14(23)21(2)3)18-16(26)20-19-12(22)8-5-6-9(17)27-8/h5-6H,1-4H3,(H,19,22)(H2,18,20,26)