N-[(1S)-2-(2-cyclopropyl-5-phenyl-1,3-thiazol-4-yl)-2-oxidanylidene-1-piperidin-2-yl-ethyl]quinoline-8-carboxamide

Systemtic Name: N-[(1S)-2-(2-cyclopropyl-5-phenyl-1,3-thiazol-4-yl)-2-oxidanylidene-1-piperidin-2-yl-ethyl]quinoline-8-carboxamide Openeye Name: N-[(1S)-2-(2-cyclopropyl-5-phenyl-thiazol-4-yl)-2-oxo-1-(2-piperidyl)ethyl]quinoline-8-carboxamide CAS Name: N-[(1S)-2-(2-cyclopropyl-5-phenyl-4-thiazolyl)-2-oxo-1-(2-piperidinyl)ethyl]-8-quinolinecarboxamide IUPAC Name: N-[(1S)-2-(2-cyclopropyl-5-phenyl-1,3-thiazol-4-yl)-2-oxo-1-piperidin-2-ylethyl]quinoline-8-carboxamide Traditional Name: N-[(1S)-2-(2-cyclopropyl-5-phenyl-thiazol-4-yl)-2-keto-1-(2-piperidyl)ethyl]quinoline-8-carboxamide Formula: C29H28N4O2S MolecularWeight: 496.62322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(C1)C(C(=O)C2=C(SC(=N2)C3CC3)C4=CC=CC=C4)NC(=O)C5=CC=CC6=C5N=CC=C6

Isomeric SMILES

C1CCNC(C1)[C@@H](C(=O)C2=C(SC(=N2)C3CC3)C4=CC=CC=C4)NC(=O)C5=CC=CC6=C5N=CC=C6

InChI

InChI=1S/C29H28N4O2S/c34-26(25-27(19-8-2-1-3-9-19)36-29(33-25)20-14-15-20)24(22-13-4-5-16-30-22)32-28(35)21-12-6-10-18-11-7-17-31-23(18)21/h1-3,6-12,17,20,22,24,30H,4-5,13-16H2,(H,32,35)/t22?,24-/m0/s1