S-quinolin-4-yl 5-azanyl-2-(methylamino)pentanethioate

Systemtic Name: S-quinolin-4-yl 5-azanyl-2-(methylamino)pentanethioate Openeye Name: S-(4-quinolyl) 5-amino-2-(methylamino)pentanethioate CAS Name: 5-amino-2-(methylamino)pentanethioic acid S-(4-quinolinyl) ester IUPAC Name: S-quinolin-4-yl 5-amino-2-(methylamino)pentanethioate Traditional Name: 5-amino-2-(methylamino)pentanethioic acid S-(4-quinolyl) ester Formula: C15H19N3OS MolecularWeight: 289.39586

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CCCN)C(=O)SC1=CC=NC2=CC=CC=C21

Isomeric SMILES

CNC(CCCN)C(=O)SC1=CC=NC2=CC=CC=C21

InChI

InChI=1S/C15H19N3OS/c1-17-13(7-4-9-16)15(19)20-14-8-10-18-12-6-3-2-5-11(12)14/h2-3,5-6,8,10,13,17H,4,7,9,16H2,1H3