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

Systemtic Name: ethyl 2-[(cyclohexylcarbamothioylamino)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(cyclohexylcarbamothioylamino)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[[(cyclohexylamino)-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(cyclohexylcarbamothioylamino)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(cyclohexylthiocarbamoylamino)thiocarbamoylamino]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(=C1)CC2=CC=CC=C2)NC(=S)NNC(=S)NC3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NNC(=S)NC3CCCCC3

InChI

InChI=1S/C22H28N4O2S3/c1-2-28-20(27)18-14-17(13-15-9-5-3-6-10-15)31-19(18)24-22(30)26-25-21(29)23-16-11-7-4-8-12-16/h3,5-6,9-10,14,16H,2,4,7-8,11-13H2,1H3,(H2,23,25,29)(H2,24,26,30)