ethyl 2-(dibutylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-(dibutylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-(dibutylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(dibutylamino)-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(dibutylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(dibutylthiocarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C21H34N2O2S2 MolecularWeight: 410.63686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)C(=S)NC1=C(C2=C(S1)CCCCC2)C(=O)OCC

Isomeric SMILES

CCCCN(CCCC)C(=S)NC1=C(C2=C(S1)CCCCC2)C(=O)OCC

InChI

InChI=1S/C21H34N2O2S2/c1-4-7-14-23(15-8-5-2)21(26)22-19-18(20(24)25-6-3)16-12-10-9-11-13-17(16)27-19/h4-15H2,1-3H3,(H,22,26)