methyl 4-[(4-methylpyridin-2-yl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-[(4-methylpyridin-2-yl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(4-methyl-2-pyridyl)carbamothioylamino]butanoate CAS Name: 4-[[[(4-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(4-methylpyridin-2-yl)carbamothioylamino]butanoate Traditional Name: 4-[(4-methyl-2-pyridyl)thiocarbamoylamino]butyric acid methyl ester Formula: C12H17N3O2S MolecularWeight: 267.34728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)NC(=S)NCCCC(=O)OC

Isomeric SMILES

CC1=CC(=NC=C1)NC(=S)NCCCC(=O)OC

InChI

InChI=1S/C12H17N3O2S/c1-9-5-7-13-10(8-9)15-12(18)14-6-3-4-11(16)17-2/h5,7-8H,3-4,6H2,1-2H3,(H2,13,14,15,18)