S-(1H-benzimidazol-2-yl) 5-azanyl-2-(methylamino)pentanethioate

Systemtic Name: S-(1H-benzimidazol-2-yl) 5-azanyl-2-(methylamino)pentanethioate Openeye Name: S-(1H-benzimidazol-2-yl) 5-amino-2-(methylamino)pentanethioate CAS Name: 5-amino-2-(methylamino)pentanethioic acid S-(1H-benzimidazol-2-yl) ester IUPAC Name: S-(1H-benzimidazol-2-yl) 5-amino-2-(methylamino)pentanethioate Traditional Name: 5-amino-2-(methylamino)pentanethioic acid S-(1H-benzimidazol-2-yl) ester Formula: C13H18N4OS MolecularWeight: 278.37322

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CCCN)C(=O)SC1=NC2=CC=CC=C2N1

Isomeric SMILES

CNC(CCCN)C(=O)SC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C13H18N4OS/c1-15-11(7-4-8-14)12(18)19-13-16-9-5-2-3-6-10(9)17-13/h2-3,5-6,11,15H,4,7-8,14H2,1H3,(H,16,17)