N-[2-(1-adamantyl)ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide

Systemtic Name: N-[2-(1-adamantyl)ethyl]-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Openeye Name: N-[2-(1-adamantyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide CAS Name: N-[2-(1-adamantyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide IUPAC Name: N-[2-(1-adamantyl)ethyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Traditional Name: N-[2-(1-adamantyl)ethyl]-4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide Formula: C22H28N2O2S MolecularWeight: 384.53492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)NCCC34CC5CC(C3)CC(C5)C4)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)NCCC34CC5CC(C3)CC(C5)C4)NC1=O

InChI

InChI=1S/C22H28N2O2S/c25-20-3-6-27-19-2-1-17(10-18(19)24-20)21(26)23-5-4-22-11-14-7-15(12-22)9-16(8-14)13-22/h1-2,10,14-16H,3-9,11-13H2,(H,23,26)(H,24,25)