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

Systemtic Name: ethyl 2-(dipentylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-(dipentylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(dipentylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-(dipentylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(diamylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C25H36N2O2S2 MolecularWeight: 460.69554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O2S2/c1-4-7-12-16-27(17-13-8-5-2)25(30)26-23-22(24(28)29-6-3)19-21(31-23)18-20-14-10-9-11-15-20/h9-11,14-15,19H,4-8,12-13,16-18H2,1-3H3,(H,26,30)