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

Systemtic Name: ethyl 2-[(cyclohexylcarbamothioylamino)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(cyclohexylcarbamothioylamino)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[(cyclohexylamino)-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(cyclohexylcarbamothioylamino)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(cyclohexylthiocarbamoylamino)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H28N4O2S3 MolecularWeight: 476.67832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NNC(=S)NC3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NNC(=S)NC3CCCCC3

InChI

InChI=1S/C22H28N4O2S3/c1-3-28-20(27)18-17(15-10-6-4-7-11-15)14(2)31-19(18)24-22(30)26-25-21(29)23-16-12-8-5-9-13-16/h4,6-7,10-11,16H,3,5,8-9,12-13H2,1-2H3,(H2,23,25,29)(H2,24,26,30)