methyl 6-[(4,6-dimethyl-2-oxidanylidene-1H-pyridin-3-yl)methylcarbamothioylamino]hexanoate

Systemtic Name: methyl 6-[(4,6-dimethyl-2-oxidanylidene-1H-pyridin-3-yl)methylcarbamothioylamino]hexanoate Openeye Name: methyl 6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamothioylamino]hexanoate CAS Name: 6-[[[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamothioylamino]hexanoate Traditional Name: 6-[(2-keto-4,6-dimethyl-1H-pyridin-3-yl)methylthiocarbamoylamino]hexanoic acid methyl ester Formula: C16H25N3O3S MolecularWeight: 339.453

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)N1)CNC(=S)NCCCCCC(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C(=O)N1)CNC(=S)NCCCCCC(=O)OC)C

InChI

InChI=1S/C16H25N3O3S/c1-11-9-12(2)19-15(21)13(11)10-18-16(23)17-8-6-4-5-7-14(20)22-3/h9H,4-8,10H2,1-3H3,(H,19,21)(H2,17,18,23)