N-(1-adamantylcarbamoyl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)acetamide Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C2SC1)CC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(C2=CC=CC=C2SC1)CC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29N3O2S/c26-20(14-25-6-3-7-28-19-5-2-1-4-18(19)25)23-21(27)24-22-11-15-8-16(12-22)10-17(9-15)13-22/h1-2,4-5,15-17H,3,6-14H2,(H2,23,24,26,27)