methyl 4-(benzimidazol-1-ylcarbamothioylamino)butanoate

Systemtic Name: methyl 4-(benzimidazol-1-ylcarbamothioylamino)butanoate Openeye Name: methyl 4-(benzimidazol-1-ylcarbamothioylamino)butanoate CAS Name: 4-[[(1-benzimidazolylamino)-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-(benzimidazol-1-ylcarbamothioylamino)butanoate Traditional Name: 4-(benzimidazol-1-ylthiocarbamoylamino)butyric acid methyl ester Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NN1C=NC2=CC=CC=C21

Isomeric SMILES

COC(=O)CCCNC(=S)NN1C=NC2=CC=CC=C21

InChI

InChI=1S/C13H16N4O2S/c1-19-12(18)7-4-8-14-13(20)16-17-9-15-10-5-2-3-6-11(10)17/h2-3,5-6,9H,4,7-8H2,1H3,(H2,14,16,20)