N-[6-(2-sulfanylethanoylamino)hexyl]quinoline-2-carboxamide

Systemtic Name: N-[6-(2-sulfanylethanoylamino)hexyl]quinoline-2-carboxamide Openeye Name: N-[6-[(2-sulfanylacetyl)amino]hexyl]quinoline-2-carboxamide CAS Name: N-[6-[(2-mercapto-1-oxoethyl)amino]hexyl]-2-quinolinecarboxamide IUPAC Name: N-[6-[(2-sulfanylacetyl)amino]hexyl]quinoline-2-carboxamide Traditional Name: N-[6-[(2-mercaptoacetyl)amino]hexyl]quinaldamide Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C(=O)NCCCCCCNC(=O)CS

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C(=O)NCCCCCCNC(=O)CS

InChI

InChI=1S/C18H23N3O2S/c22-17(13-24)19-11-5-1-2-6-12-20-18(23)16-10-9-14-7-3-4-8-15(14)21-16/h3-4,7-10,24H,1-2,5-6,11-13H2,(H,19,22)(H,20,23)