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

Systemtic Name: ethyl 5-(phenylmethyl)-2-(undecylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(undecylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 5-(phenylmethyl)-2-[[sulfanylidene-(undecylamino)methyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(undecylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(undecylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C26H38N2O2S2 MolecularWeight: 474.72212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38N2O2S2/c1-3-5-6-7-8-9-10-11-15-18-27-26(31)28-24-23(25(29)30-4-2)20-22(32-24)19-21-16-13-12-14-17-21/h12-14,16-17,20H,3-11,15,18-19H2,1-2H3,(H2,27,28,31)