N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-3H-benzimidazole-5-carboxamide

Systemtic Name: N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-3H-benzimidazole-5-carboxamide Openeye Name: N-[(1S)-2-(1,3-benzodioxol-5-ylmethylamino)-1-(hydroxymethyl)-2-oxo-ethyl]-3H-benzimidazole-5-carboxamide CAS Name: N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-hydroxy-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide IUPAC Name: N-[(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-3-hydroxy-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-(piperonylamino)ethyl]-3H-benzimidazole-5-carboxamide Formula: C19H18N4O5 MolecularWeight: 382.37002

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C(CO)NC(=O)C3=CC4=C(C=C3)N=CN4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)[C@H](CO)NC(=O)C3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C19H18N4O5/c24-8-15(23-18(25)12-2-3-13-14(6-12)22-9-21-13)19(26)20-7-11-1-4-16-17(5-11)28-10-27-16/h1-6,9,15,24H,7-8,10H2,(H,20,26)(H,21,22)(H,23,25)/t15-/m0/s1