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

Systemtic Name: methyl 4-[(4,6-dimethyl-2-oxidanylidene-1H-pyridin-3-yl)methylcarbamothioylamino]butanoate Openeye Name: methyl 4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamothioylamino]butanoate CAS Name: 4-[[[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamothioylamino]butanoate Traditional Name: 4-[(2-keto-4,6-dimethyl-1H-pyridin-3-yl)methylthiocarbamoylamino]butyric acid methyl ester Formula: C14H21N3O3S MolecularWeight: 311.39984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O3S/c1-9-7-10(2)17-13(19)11(9)8-16-14(21)15-6-4-5-12(18)20-3/h7H,4-6,8H2,1-3H3,(H,17,19)(H2,15,16,21)