methyl 2-(2-ethylhexylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(2-ethylhexylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(2-ethylhexylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2-ethylhexylamino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-ethylhexylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(2-ethylhexylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H28N2O2S2 MolecularWeight: 404.58922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O2S2/c1-4-6-10-15(5-2)14-22-21(26)23-19-17(20(24)25-3)13-18(27-19)16-11-8-7-9-12-16/h7-9,11-13,15H,4-6,10,14H2,1-3H3,(H2,22,23,26)