methyl 6-[[(2-methylfuran-3-yl)carbonylamino]carbamothioylamino]hexanoate

Systemtic Name: methyl 6-[[(2-methylfuran-3-yl)carbonylamino]carbamothioylamino]hexanoate Openeye Name: methyl 6-[[(2-methylfuran-3-carbonyl)amino]carbamothioylamino]hexanoate CAS Name: 6-[[[[(2-methyl-3-furanyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(2-methylfuran-3-carbonyl)amino]carbamothioylamino]hexanoate Traditional Name: 6-[[(2-methyl-3-furoyl)amino]thiocarbamoylamino]hexanoic acid methyl ester Formula: C14H21N3O4S MolecularWeight: 327.39924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)NNC(=S)NCCCCCC(=O)OC

Isomeric SMILES

CC1=C(C=CO1)C(=O)NNC(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C14H21N3O4S/c1-10-11(7-9-21-10)13(19)16-17-14(22)15-8-5-3-4-6-12(18)20-2/h7,9H,3-6,8H2,1-2H3,(H,16,19)(H2,15,17,22)