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

Systemtic Name: methyl 2-(cyclopropylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-(cyclopropylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(cyclopropylamino)-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(cyclopropylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(cyclopropylthiocarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C15H20N2O2S2 MolecularWeight: 324.4615

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3CC3

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCCC2)NC(=S)NC3CC3

InChI

InChI=1S/C15H20N2O2S2/c1-19-14(18)12-10-5-3-2-4-6-11(10)21-13(12)17-15(20)16-9-7-8-9/h9H,2-8H2,1H3,(H2,16,17,20)