N-[5-(2-sulfanylethanoylamino)pentyl]quinoline-3-carboxamide

Systemtic Name: N-[5-(2-sulfanylethanoylamino)pentyl]quinoline-3-carboxamide Openeye Name: N-[5-[(2-sulfanylacetyl)amino]pentyl]quinoline-3-carboxamide CAS Name: N-[5-[(2-mercapto-1-oxoethyl)amino]pentyl]-3-quinolinecarboxamide IUPAC Name: N-[5-[(2-sulfanylacetyl)amino]pentyl]quinoline-3-carboxamide Traditional Name: N-[5-[(2-mercaptoacetyl)amino]pentyl]quinoline-3-carboxamide Formula: C17H21N3O2S MolecularWeight: 331.43254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O2S/c21-16(12-23)18-8-4-1-5-9-19-17(22)14-10-13-6-2-3-7-15(13)20-11-14/h2-3,6-7,10-11,23H,1,4-5,8-9,12H2,(H,18,21)(H,19,22)