diethyl 5-[(cyclohexylcarbamothioylamino)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[(cyclohexylcarbamothioylamino)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(cyclohexylcarbamothioylamino)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[[(cyclohexylamino)-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(cyclohexylcarbamothioylamino)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(cyclohexylthiocarbamoylamino)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H28N4O4S3 MolecularWeight: 472.64502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NNC(=S)NC2CCCCC2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NNC(=S)NC2CCCCC2

InChI

InChI=1S/C19H28N4O4S3/c1-4-26-16(24)13-11(3)14(17(25)27-5-2)30-15(13)21-19(29)23-22-18(28)20-12-9-7-6-8-10-12/h12H,4-10H2,1-3H3,(H2,20,22,28)(H2,21,23,29)