ethyl 2-(2-ethylhexylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-(2-ethylhexylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(2-ethylhexylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(2-ethylhexylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(2-ethylhexylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(2-ethylhexylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C23H32N2O2S2 MolecularWeight: 432.64238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=S)NC1=C(C=C(S1)CC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCCCC(CC)CNC(=S)NC1=C(C=C(S1)CC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C23H32N2O2S2/c1-4-7-11-17(5-2)16-24-23(28)25-21-20(22(26)27-6-3)15-19(29-21)14-18-12-9-8-10-13-18/h8-10,12-13,15,17H,4-7,11,14,16H2,1-3H3,(H2,24,25,28)