methyl 6-[(furan-2-ylmethylcarbamothioylamino)carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(furan-2-ylmethylcarbamothioylamino)carbamothioylamino]hexanoate Openeye Name: methyl 6-[(2-furylmethylcarbamothioylamino)carbamothioylamino]hexanoate CAS Name: 6-[[[[(2-furanylmethylamino)-sulfanylidenemethyl]hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(furan-2-ylmethylcarbamothioylamino)carbamothioylamino]hexanoate Traditional Name: 6-[(2-furfurylthiocarbamoylamino)thiocarbamoylamino]hexanoic acid methyl ester Formula: C14H22N4O3S2 MolecularWeight: 358.47948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=S)NNC(=S)NCC1=CC=CO1

Isomeric SMILES

COC(=O)CCCCCNC(=S)NNC(=S)NCC1=CC=CO1

InChI

InChI=1S/C14H22N4O3S2/c1-20-12(19)7-3-2-4-8-15-13(22)17-18-14(23)16-10-11-6-5-9-21-11/h5-6,9H,2-4,7-8,10H2,1H3,(H2,15,17,22)(H2,16,18,23)