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

Systemtic Name: N-[2-[4-(1-adamantylcarbonylamino)phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide Openeye Name: N-[2-[4-(adamantane-1-carbonylamino)phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide CAS Name: N-[2-[4-[[1-adamantyl(oxo)methyl]amino]phenyl]-3H-benzimidazol-5-yl]-3-thiophenecarboxamide IUPAC Name: N-[2-[4-(adamantane-1-carbonylamino)phenyl]-3H-benzimidazol-5-yl]thiophene-3-carboxamide Traditional Name: N-[2-[4-(adamantane-1-carbonylamino)phenyl]-3H-benzimidazol-5-yl]thiophene-3-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=CSC=C7

Isomeric SMILES

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

InChI

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