N-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[(1S)-1-methyl-2-oxo-2-(propylamino)ethyl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-(propylamino)ethyl]-2-(2-thienyl)cinchoninamide Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3

Isomeric SMILES

CCCNC(=O)[C@H](C)NC(=O)C1=CC(=NC2=CC=CC=C21)C3=CC=CS3

InChI

InChI=1S/C20H21N3O2S/c1-3-10-21-19(24)13(2)22-20(25)15-12-17(18-9-6-11-26-18)23-16-8-5-4-7-14(15)16/h4-9,11-13H,3,10H2,1-2H3,(H,21,24)(H,22,25)/t13-/m0/s1