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

Systemtic Name: methyl 2-[(cyclohexylcarbamothioylamino)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[(cyclohexylcarbamothioylamino)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[[(cyclohexylamino)-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[(cyclohexylcarbamothioylamino)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(cyclohexylthiocarbamoylamino)thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C21H26N4O2S3 MolecularWeight: 462.65174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2S3/c1-27-19(26)17-13-16(12-14-8-4-2-5-9-14)30-18(17)23-21(29)25-24-20(28)22-15-10-6-3-7-11-15/h2,4-5,8-9,13,15H,3,6-7,10-12H2,1H3,(H2,22,24,28)(H2,23,25,29)