methyl 4-[(2-chloranylpyridin-3-yl)carbamothioylamino]butanoate

Systemtic Name: methyl 4-[(2-chloranylpyridin-3-yl)carbamothioylamino]butanoate Openeye Name: methyl 4-[(2-chloro-3-pyridyl)carbamothioylamino]butanoate CAS Name: 4-[[[(2-chloro-3-pyridinyl)amino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(2-chloropyridin-3-yl)carbamothioylamino]butanoate Traditional Name: 4-[(2-chloro-3-pyridyl)thiocarbamoylamino]butyric acid methyl ester Formula: C11H14ClN3O2S MolecularWeight: 287.76576

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NC1=C(N=CC=C1)Cl

Isomeric SMILES

COC(=O)CCCNC(=S)NC1=C(N=CC=C1)Cl

InChI

InChI=1S/C11H14ClN3O2S/c1-17-9(16)5-3-7-14-11(18)15-8-4-2-6-13-10(8)12/h2,4,6H,3,5,7H2,1H3,(H2,14,15,18)