N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-phenyl-imidazole-4-carboxamide

Systemtic Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-phenyl-imidazole-4-carboxamide Openeye Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-phenyl-imidazole-4-carboxamide CAS Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-phenyl-4-imidazolecarboxamide IUPAC Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-phenylimidazole-4-carboxamide Traditional Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-phenyl-imidazole-4-carboxamide Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CN=CN3C4=CC=CC=C4

Isomeric SMILES

CSCC[C@H](C1=NC2=CC=CC=C2N1)NC(=O)C3=CN=CN3C4=CC=CC=C4

InChI

InChI=1S/C21H21N5OS/c1-28-12-11-18(20-23-16-9-5-6-10-17(16)24-20)25-21(27)19-13-22-14-26(19)15-7-3-2-4-8-15/h2-10,13-14,18H,11-12H2,1H3,(H,23,24)(H,25,27)/t18-/m1/s1