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

Systemtic Name: methyl 2-[(cyclohexylcarbamothioylamino)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(cyclohexylcarbamothioylamino)carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[[(cyclohexylamino)-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(cyclohexylcarbamothioylamino)carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[(cyclohexylthiocarbamoylamino)thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C16H24N4O2S3 MolecularWeight: 400.58236

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NNC(=S)NC2CCCCC2)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NNC(=S)NC2CCCCC2)C(=O)OC

InChI

InChI=1S/C16H24N4O2S3/c1-3-11-9-12(14(21)22-2)13(25-11)18-16(24)20-19-15(23)17-10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H2,17,19,23)(H2,18,20,24)