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

Systemtic Name: methyl 2-(cyclooctylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-(cyclooctylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(cyclooctylamino)-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(cyclooctylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(cyclooctylthiocarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C20H30N2O2S2 MolecularWeight: 394.5944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3CCCCCCC3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3CCCCCCC3

InChI

InChI=1S/C20H30N2O2S2/c1-24-19(23)17-15-12-8-5-9-13-16(15)26-18(17)22-20(25)21-14-10-6-3-2-4-7-11-14/h14H,2-13H2,1H3,(H2,21,22,25)