N-(1-adamantyl)-5-(1,3-benzothiazol-2-yl)pentanamide

Systemtic Name: N-(1-adamantyl)-5-(1,3-benzothiazol-2-yl)pentanamide Openeye Name: N-(1-adamantyl)-5-(1,3-benzothiazol-2-yl)pentanamide CAS Name: N-(1-adamantyl)-5-(1,3-benzothiazol-2-yl)pentanamide IUPAC Name: N-(1-adamantyl)-5-(1,3-benzothiazol-2-yl)pentanamide Traditional Name: N-(1-adamantyl)-5-(1,3-benzothiazol-2-yl)valeramide Formula: C22H28N2OS MolecularWeight: 368.53552

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CCCCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CCCCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H28N2OS/c25-20(24-22-12-15-9-16(13-22)11-17(10-15)14-22)7-3-4-8-21-23-18-5-1-2-6-19(18)26-21/h1-2,5-6,15-17H,3-4,7-14H2,(H,24,25)