N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-phenyl-1,2-oxazole-5-carboxamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-phenyl-1,2-oxazole-5-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-phenyl-isoxazole-5-carboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-phenyl-5-isoxazolecarboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-phenyl-1,2-oxazole-5-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-phenyl-isoxazole-5-carboxamide Formula: C21H20N4O2S MolecularWeight: 392.4741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=NO3)C4=CC=CC=C4

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2S/c1-28-12-11-17(20-22-15-9-5-6-10-16(15)23-20)24-21(26)19-13-18(25-27-19)14-7-3-2-4-8-14/h2-10,13,17H,11-12H2,1H3,(H,22,23)(H,24,26)/t17-/m0/s1