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

Systemtic Name: ethyl 2-(dipentylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: ethyl 2-(dipentylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(dipentylamino)-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(dipentylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(diamylthiocarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester Formula: C23H38N2O2S2 MolecularWeight: 438.69002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCCCC)C(=S)NC1=C(C2=C(S1)CCCCC2)C(=O)OCC

Isomeric SMILES

CCCCCN(CCCCC)C(=S)NC1=C(C2=C(S1)CCCCC2)C(=O)OCC

InChI

InChI=1S/C23H38N2O2S2/c1-4-7-12-16-25(17-13-8-5-2)23(28)24-21-20(22(26)27-6-3)18-14-10-9-11-15-19(18)29-21/h4-17H2,1-3H3,(H,24,28)