N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-9,10-bis(oxidanylidene)anthracene-2-carboxamide

Systemtic Name: N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-oxidanyl-1-oxidanylidene-propan-2-yl]-9,10-bis(oxidanylidene)anthracene-2-carboxamide Openeye Name: N-[(1S)-2-(1H-benzimidazol-2-ylamino)-1-(hydroxymethyl)-2-oxo-ethyl]-9,10-dioxo-anthracene-2-carboxamide CAS Name: N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-9,10-dioxo-2-anthracenecarboxamide IUPAC Name: N-[(2S)-1-(1H-benzimidazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-9,10-dioxoanthracene-2-carboxamide Traditional Name: N-[(1S)-2-(1H-benzimidazol-2-ylamino)-2-keto-1-methylol-ethyl]-9,10-diketo-anthracene-2-carboxamide Formula: C25H18N4O5 MolecularWeight: 454.43422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC(CO)C(=O)NC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)C(=O)N[C@@H](CO)C(=O)NC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C25H18N4O5/c30-12-20(24(34)29-25-27-18-7-3-4-8-19(18)28-25)26-23(33)13-9-10-16-17(11-13)22(32)15-6-2-1-5-14(15)21(16)31/h1-11,20,30H,12H2,(H,26,33)(H2,27,28,29,34)/t20-/m0/s1