methyl 2-[(cyclohexylcarbamothioylamino)carbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(cyclohexylcarbamothioylamino)carbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(cyclohexylcarbamothioylamino)carbamothioylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[[(cyclohexylamino)-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(cyclohexylcarbamothioylamino)carbamothioylamino]-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[(cyclohexylthiocarbamoylamino)thiocarbamoylamino]-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C20H31N5O3S3 MolecularWeight: 485.68684

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NNC(=S)NC2CCCCC2)C(=O)OC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=S)NNC(=S)NC2CCCCC2)C(=O)OC)C

InChI

InChI=1S/C20H31N5O3S3/c1-5-25(6-2)17(26)15-12(3)14(18(27)28-4)16(31-15)22-20(30)24-23-19(29)21-13-10-8-7-9-11-13/h13H,5-11H2,1-4H3,(H2,21,23,29)(H2,22,24,30)