S-(1,3-benzothiazol-2-yl) 5-azanyl-2-(methylamino)pentanethioate

Systemtic Name: S-(1,3-benzothiazol-2-yl) 5-azanyl-2-(methylamino)pentanethioate Openeye Name: S-(1,3-benzothiazol-2-yl) 5-amino-2-(methylamino)pentanethioate CAS Name: 5-amino-2-(methylamino)pentanethioic acid S-(1,3-benzothiazol-2-yl) ester IUPAC Name: S-(1,3-benzothiazol-2-yl) 5-amino-2-(methylamino)pentanethioate Traditional Name: 5-amino-2-(methylamino)pentanethioic acid S-(1,3-benzothiazol-2-yl) ester Formula: C13H17N3OS2 MolecularWeight: 295.42358

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CCCN)C(=O)SC1=NC2=CC=CC=C2S1

Isomeric SMILES

CNC(CCCN)C(=O)SC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C13H17N3OS2/c1-15-10(6-4-8-14)12(17)19-13-16-9-5-2-3-7-11(9)18-13/h2-3,5,7,10,15H,4,6,8,14H2,1H3