[2-(methylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(1H-benzimidazol-2-ylsulfanyl)butanoate

Systemtic Name: [2-(methylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(1H-benzimidazol-2-ylsulfanyl)butanoate Openeye Name: [2-(methylcarbamoylamino)-2-oxo-ethyl] 4-(1H-benzimidazol-2-ylsulfanyl)butanoate CAS Name: 4-(1H-benzimidazol-2-ylthio)butanoic acid [2-(methylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylcarbamoylamino)-2-oxoethyl] 4-(1H-benzimidazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1H-benzimidazol-2-ylthio)butyric acid [2-keto-2-(methylcarbamoylamino)ethyl] ester Formula: C15H18N4O4S MolecularWeight: 350.39282

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)COC(=O)CCCSC1=NC2=CC=CC=C2N1

Isomeric SMILES

CNC(=O)NC(=O)COC(=O)CCCSC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C15H18N4O4S/c1-16-14(22)19-12(20)9-23-13(21)7-4-8-24-15-17-10-5-2-3-6-11(10)18-15/h2-3,5-6H,4,7-9H2,1H3,(H,17,18)(H2,16,19,20,22)