N-[(2S)-1-[(3-iodanylphenyl)methylamino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-3H-benzimidazole-5-carboxamide

Systemtic Name: N-[(2S)-1-[(3-iodanylphenyl)methylamino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-3H-benzimidazole-5-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-[(3-iodophenyl)methylamino]-2-oxo-ethyl]-3H-benzimidazole-5-carboxamide CAS Name: N-[(2S)-3-hydroxy-1-[(3-iodophenyl)methylamino]-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide IUPAC Name: N-[(2S)-3-hydroxy-1-[(3-iodophenyl)methylamino]-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide Traditional Name: N-[(1S)-2-[(3-iodobenzyl)amino]-2-keto-1-methylol-ethyl]-3H-benzimidazole-5-carboxamide Formula: C18H17IN4O3 MolecularWeight: 464.25705

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)CNC(=O)C(CO)NC(=O)C2=CC3=C(C=C2)N=CN3

Isomeric SMILES

C1=CC(=CC(=C1)I)CNC(=O)[C@H](CO)NC(=O)C2=CC3=C(C=C2)N=CN3

InChI

InChI=1S/C18H17IN4O3/c19-13-3-1-2-11(6-13)8-20-18(26)16(9-24)23-17(25)12-4-5-14-15(7-12)22-10-21-14/h1-7,10,16,24H,8-9H2,(H,20,26)(H,21,22)(H,23,25)/t16-/m0/s1