N-[4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]adamantane-1-carboxamide

Systemtic Name: N-[4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]adamantane-1-carboxamide Openeye Name: N-[4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]adamantane-1-carboxamide CAS Name: N-[4-[(1,3-benzothiazol-2-ylamino)-oxomethyl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]adamantane-1-carboxamide Traditional Name: N-[4-(1,3-benzothiazol-2-ylcarbamoyl)phenyl]adamantane-1-carboxamide Formula: C25H25N3O2S MolecularWeight: 431.5499

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=C(C=C4)C(=O)NC5=NC6=CC=CC=C6S5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=C(C=C4)C(=O)NC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C25H25N3O2S/c29-22(28-24-27-20-3-1-2-4-21(20)31-24)18-5-7-19(8-6-18)26-23(30)25-12-15-9-16(13-25)11-17(10-15)14-25/h1-8,15-17H,9-14H2,(H,26,30)(H,27,28,29)