S-(1H-benzimidazol-2-yl) 6-azanyl-2-(methylamino)hexanethioate

Systemtic Name: S-(1H-benzimidazol-2-yl) 6-azanyl-2-(methylamino)hexanethioate Openeye Name: S-(1H-benzimidazol-2-yl) 6-amino-2-(methylamino)hexanethioate CAS Name: 6-amino-2-(methylamino)hexanethioic acid S-(1H-benzimidazol-2-yl) ester IUPAC Name: S-(1H-benzimidazol-2-yl) 6-amino-2-(methylamino)hexanethioate Traditional Name: 6-amino-2-(methylamino)hexanethioic acid S-(1H-benzimidazol-2-yl) ester Formula: C14H20N4OS MolecularWeight: 292.3998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4OS/c1-16-12(8-4-5-9-15)13(19)20-14-17-10-6-2-3-7-11(10)18-14/h2-3,6-7,12,16H,4-5,8-9,15H2,1H3,(H,17,18)