N-[2-[4-(1-adamantylcarbonylamino)phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide

Systemtic Name: N-[2-[4-(1-adamantylcarbonylamino)phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide Openeye Name: N-[2-[4-(adamantane-1-carbonylamino)phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide CAS Name: N-[2-[4-[[1-adamantyl(oxo)methyl]amino]phenyl]-3H-benzimidazol-5-yl]-2-thiophenecarboxamide IUPAC Name: N-[2-[4-(adamantane-1-carbonylamino)phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide Traditional Name: N-[2-[4-(adamantane-1-carbonylamino)phenyl]-3H-benzimidazol-5-yl]thiophene-2-carboxamide Formula: C29H28N4O2S MolecularWeight: 496.62322

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=C(C=C4)C5=NC6=C(N5)C=C(C=C6)NC(=O)C7=CC=CS7

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=C(C=C4)C5=NC6=C(N5)C=C(C=C6)NC(=O)C7=CC=CS7

InChI

InChI=1S/C29H28N4O2S/c34-27(25-2-1-9-36-25)30-22-7-8-23-24(13-22)33-26(32-23)20-3-5-21(6-4-20)31-28(35)29-14-17-10-18(15-29)12-19(11-17)16-29/h1-9,13,17-19H,10-12,14-16H2,(H,30,34)(H,31,35)(H,32,33)