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

Systemtic Name: methyl 2-(formamidocarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-(formamidocarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(formylhydrazo)-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(formamidocarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(formamidothiocarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C13H17N3O3S2 MolecularWeight: 327.42238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O3S2/c1-19-12(18)10-8-5-3-2-4-6-9(8)21-11(10)15-13(20)16-14-7-17/h7H,2-6H2,1H3,(H,14,17)(H2,15,16,20)