(2R)-N-(5-chloranyl-2-methoxy-phenyl)-2-(1H-perimidin-2-ylsulfanyl)propanamide

Systemtic Name: (2R)-N-(5-chloranyl-2-methoxy-phenyl)-2-(1H-perimidin-2-ylsulfanyl)propanamide Openeye Name: (2R)-N-(5-chloro-2-methoxy-phenyl)-2-(1H-perimidin-2-ylsulfanyl)propanamide CAS Name: (2R)-N-(5-chloro-2-methoxyphenyl)-2-(1H-perimidin-2-ylthio)propanamide IUPAC Name: (2R)-N-(5-chloro-2-methoxyphenyl)-2-(1H-perimidin-2-ylsulfanyl)propanamide Traditional Name: (2R)-N-(5-chloro-2-methoxy-phenyl)-2-(1H-perimidin-2-ylthio)propionamide Formula: C21H18ClN3O2S MolecularWeight: 411.90452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)Cl)OC)SC2=NC3=CC=CC4=C3C(=CC=C4)N2

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)Cl)OC)SC2=NC3=CC=CC4=C3C(=CC=C4)N2

InChI

InChI=1S/C21H18ClN3O2S/c1-12(20(26)23-17-11-14(22)9-10-18(17)27-2)28-21-24-15-7-3-5-13-6-4-8-16(25-21)19(13)15/h3-12H,1-2H3,(H,23,26)(H,24,25)/t12-/m1/s1