methyl 2-(dodecylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-(dodecylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-(dodecylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(dodecylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-(dodecylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(laurylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C26H38N2O2S2 MolecularWeight: 474.72212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=S)NC1=C(C=C(S1)CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCNC(=S)NC1=C(C=C(S1)CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C26H38N2O2S2/c1-3-4-5-6-7-8-9-10-11-15-18-27-26(31)28-24-23(25(29)30-2)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)