N-[(2S)-1-(benzimidazol-1-ylamino)-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[(2S)-1-(benzimidazol-1-ylamino)-3-methyl-1-oxidanylidene-butan-2-yl]adamantane-1-carboxamide Openeye Name: N-[(1S)-1-(benzimidazol-1-ylcarbamoyl)-2-methyl-propyl]adamantane-1-carboxamide CAS Name: N-[(2S)-1-(1-benzimidazolylamino)-3-methyl-1-oxobutan-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[(2S)-1-(benzimidazol-1-ylamino)-3-methyl-1-oxobutan-2-yl]adamantane-1-carboxamide Traditional Name: N-[(1S)-1-(benzimidazol-1-ylcarbamoyl)-2-methyl-propyl]adamantane-1-carboxamide Formula: C23H30N4O2 MolecularWeight: 394.5099

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NN1C=NC2=CC=CC=C21)NC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)[C@@H](C(=O)NN1C=NC2=CC=CC=C21)NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H30N4O2/c1-14(2)20(21(28)26-27-13-24-18-5-3-4-6-19(18)27)25-22(29)23-10-15-7-16(11-23)9-17(8-15)12-23/h3-6,13-17,20H,7-12H2,1-2H3,(H,25,29)(H,26,28)/t15?,16?,17?,20-,23?/m0/s1