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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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