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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O2S2/c1-3-5-6-7-8-12-15-24-23(28)25-21-20(22(26)27-4-2)17-19(29-21)16-18-13-10-9-11-14-18/h9-11,13-14,17H,3-8,12,15-16H2,1-2H3,(H2,24,25,28)