methyl 2-[[(4-chlorophenyl)carbamothioylamino]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(4-chlorophenyl)carbamothioylamino]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(4-chlorophenyl)carbamothioylamino]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[[(4-chloroanilino)-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(4-chlorophenyl)carbamothioylamino]carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[(4-chlorophenyl)thiocarbamoylamino]thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C16H17ClN4O2S3 MolecularWeight: 428.97978

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NNC(=S)NC2=CC=C(C=C2)Cl)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NNC(=S)NC2=CC=C(C=C2)Cl)C(=O)OC

InChI

InChI=1S/C16H17ClN4O2S3/c1-3-11-8-12(14(22)23-2)13(26-11)19-16(25)21-20-15(24)18-10-6-4-9(17)5-7-10/h4-8H,3H2,1-2H3,(H2,18,20,24)(H2,19,21,25)