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

Systemtic Name: ethyl 2-(hexylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(hexylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(hexylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(hexylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(hexylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C21H28N2O2S2 MolecularWeight: 404.58922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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