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

Systemtic Name: methyl 2-(heptylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-(heptylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(heptylamino)-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(heptylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(heptylthiocarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C19H30N2O2S2 MolecularWeight: 382.5837

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNC(=S)NC1=C(C2=C(S1)CCCCC2)C(=O)OC

Isomeric SMILES

CCCCCCCNC(=S)NC1=C(C2=C(S1)CCCCC2)C(=O)OC

InChI

InChI=1S/C19H30N2O2S2/c1-3-4-5-6-10-13-20-19(24)21-17-16(18(22)23-2)14-11-8-7-9-12-15(14)25-17/h3-13H2,1-2H3,(H2,20,21,24)