N-[(2S)-1-[(4-morpholin-4-ylphenyl)amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-3H-benzimidazole-5-carboxamide

Systemtic Name: N-[(2S)-1-[(4-morpholin-4-ylphenyl)amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-3H-benzimidazole-5-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-(4-morpholinoanilino)-2-oxo-ethyl]-3H-benzimidazole-5-carboxamide CAS Name: N-[(2S)-3-hydroxy-1-[4-(4-morpholinyl)anilino]-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide IUPAC Name: N-[(2S)-3-hydroxy-1-(4-morpholin-4-ylanilino)-1-oxopropan-2-yl]-3H-benzimidazole-5-carboxamide Traditional Name: N-[(1S)-2-keto-1-methylol-2-(4-morpholinoanilino)ethyl]-3H-benzimidazole-5-carboxamide Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC(=O)C(CO)NC(=O)C3=CC4=C(C=C3)N=CN4

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC(=O)[C@H](CO)NC(=O)C3=CC4=C(C=C3)N=CN4

InChI

InChI=1S/C21H23N5O4/c27-12-19(25-20(28)14-1-6-17-18(11-14)23-13-22-17)21(29)24-15-2-4-16(5-3-15)26-7-9-30-10-8-26/h1-6,11,13,19,27H,7-10,12H2,(H,22,23)(H,24,29)(H,25,28)/t19-/m0/s1