N-[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-6-(2-methoxyethanoylamino)-3-phenethyl-benzimidazole-4-carboxamide

Systemtic Name: N-[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]-6-(2-methoxyethanoylamino)-3-phenethyl-benzimidazole-4-carboxamide Openeye Name: N-[(1S)-2-amino-1-methyl-2-oxo-ethyl]-6-[(2-methoxyacetyl)amino]-3-phenethyl-benzimidazole-4-carboxamide CAS Name: N-[(2S)-1-amino-1-oxopropan-2-yl]-6-[(2-methoxy-1-oxoethyl)amino]-3-phenethyl-4-benzimidazolecarboxamide IUPAC Name: N-[(2S)-1-amino-1-oxopropan-2-yl]-6-[(2-methoxyacetyl)amino]-3-phenethylbenzimidazole-4-carboxamide Traditional Name: N-[(1S)-2-amino-2-keto-1-methyl-ethyl]-6-[(2-methoxyacetyl)amino]-3-phenethyl-benzimidazole-4-carboxamide Formula: C22H25N5O4 MolecularWeight: 423.465

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)NC(=O)C1=CC(=CC2=C1N(C=N2)CCC3=CC=CC=C3)NC(=O)COC

Isomeric SMILES

C[C@@H](C(=O)N)NC(=O)C1=CC(=CC2=C1N(C=N2)CCC3=CC=CC=C3)NC(=O)COC

InChI

InChI=1S/C22H25N5O4/c1-14(21(23)29)25-22(30)17-10-16(26-19(28)12-31-2)11-18-20(17)27(13-24-18)9-8-15-6-4-3-5-7-15/h3-7,10-11,13-14H,8-9,12H2,1-2H3,(H2,23,29)(H,25,30)(H,26,28)/t14-/m0/s1