methyl 2-[(dodecanoylamino)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(dodecanoylamino)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(dodecanoylamino)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[(1-oxododecylhydrazo)-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(dodecanoylamino)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(lauroylamino)thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C22H35N3O3S2 MolecularWeight: 453.6616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NNC(=S)NC1=C(C2=C(S1)CCC2)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCC(=O)NNC(=S)NC1=C(C2=C(S1)CCC2)C(=O)OC

InChI

InChI=1S/C22H35N3O3S2/c1-3-4-5-6-7-8-9-10-11-15-18(26)24-25-22(29)23-20-19(21(27)28-2)16-13-12-14-17(16)30-20/h3-15H2,1-2H3,(H,24,26)(H2,23,25,29)