N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]quinoline-4-carboxamide

Systemtic Name: N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]quinoline-4-carboxamide Openeye Name: N-[(1S)-2-(4,5-dihydrothiazol-2-ylamino)-1-(hydroxymethyl)-2-oxo-ethyl]quinoline-4-carboxamide CAS Name: N-[(2S)-1-(4,5-dihydrothiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-4-quinolinecarboxamide IUPAC Name: N-[(2S)-1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-(2-thiazolin-2-ylamino)ethyl]cinchoninamide Formula: C16H16N4O3S MolecularWeight: 344.38824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=N1)NC(=O)C(CO)NC(=O)C2=CC=NC3=CC=CC=C23

Isomeric SMILES

C1CSC(=N1)NC(=O)[C@H](CO)NC(=O)C2=CC=NC3=CC=CC=C23

InChI

InChI=1S/C16H16N4O3S/c21-9-13(15(23)20-16-18-7-8-24-16)19-14(22)11-5-6-17-12-4-2-1-3-10(11)12/h1-6,13,21H,7-9H2,(H,19,22)(H,18,20,23)/t13-/m0/s1