4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]benzamide

Systemtic Name: 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]benzamide Openeye Name: 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]benzamide CAS Name: 4-(2-imidazo[1,2-a]pyridinylmethylthio)-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]benzamide Traditional Name: 4-(imidazo[1,2-a]pyridin-2-ylmethylthio)-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]benzamide Formula: C25H27N4O2S2+ MolecularWeight: 479.63748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)C2=CC=C(C=C2)SCC3=CN4C=CC=CC4=N3)C5=CC=CS5

Isomeric SMILES

C1COCC[NH+]1[C@@H](CNC(=O)C2=CC=C(C=C2)SCC3=CN4C=CC=CC4=N3)C5=CC=CS5

InChI

InChI=1S/C25H26N4O2S2/c30-25(26-16-22(23-4-3-15-32-23)28-11-13-31-14-12-28)19-6-8-21(9-7-19)33-18-20-17-29-10-2-1-5-24(29)27-20/h1-10,15,17,22H,11-14,16,18H2,(H,26,30)/p+1/t22-/m0/s1