methyl 6-[[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[2-(2-furylmethylamino)-2-oxo-ethyl]carbamothioylamino]hexanoate CAS Name: 6-[[[[2-(2-furanylmethylamino)-2-oxoethyl]amino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[2-(furan-2-ylmethylamino)-2-oxoethyl]carbamothioylamino]hexanoate Traditional Name: 6-[[2-(2-furfurylamino)-2-keto-ethyl]thiocarbamoylamino]hexanoic acid methyl ester Formula: C15H23N3O4S MolecularWeight: 341.42582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H23N3O4S/c1-21-14(20)7-3-2-4-8-16-15(23)18-11-13(19)17-10-12-6-5-9-22-12/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,17,19)(H2,16,18,23)