N-[[4-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]adamantane-1-carboxamide Openeye Name: N-[[4-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]adamantane-1-carboxamide CAS Name: N-[[4-(1H-benzimidazol-2-yl)anilino]-sulfanylidenemethyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-(1H-benzimidazol-2-yl)phenyl]carbamothioyl]adamantane-1-carboxamide Traditional Name: N-[[4-(1H-benzimidazol-2-yl)phenyl]thiocarbamoyl]adamantane-1-carboxamide Formula: C25H26N4OS MolecularWeight: 430.56514

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6N5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC(=S)NC4=CC=C(C=C4)C5=NC6=CC=CC=C6N5

InChI

InChI=1S/C25H26N4OS/c30-23(25-12-15-9-16(13-25)11-17(10-15)14-25)29-24(31)26-19-7-5-18(6-8-19)22-27-20-3-1-2-4-21(20)28-22/h1-8,15-17H,9-14H2,(H,27,28)(H2,26,29,30,31)