methyl 6-(furan-2-ylmethylcarbamothioylamino)hexanoate

Systemtic Name: methyl 6-(furan-2-ylmethylcarbamothioylamino)hexanoate Openeye Name: methyl 6-(2-furylmethylcarbamothioylamino)hexanoate CAS Name: 6-[[(2-furanylmethylamino)-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-(furan-2-ylmethylcarbamothioylamino)hexanoate Traditional Name: 6-(2-furfurylthiocarbamoylamino)hexanoic acid methyl ester Formula: C13H20N2O3S MolecularWeight: 284.3745

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O3S/c1-17-12(16)7-3-2-4-8-14-13(19)15-10-11-6-5-9-18-11/h5-6,9H,2-4,7-8,10H2,1H3,(H2,14,15,19)