N-[1-(1-adamantyl)ethyl]-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-[1-(1-adamantyl)ethyl]-6-oxidanylidene-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-[1-(1-adamantyl)ethyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide CAS Name: N-[1-(1-adamantyl)ethyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide IUPAC Name: N-[1-(1-adamantyl)ethyl]-6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-[1-(1-adamantyl)ethyl]-6-keto-5H-benzo[b][1,4]benzothiazepine-3-carboxamide Formula: C26H28N2O2S MolecularWeight: 432.57772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC5=C(C=C4)SC6=CC=CC=C6C(=O)N5

Isomeric SMILES

CC(C12CC3CC(C1)CC(C3)C2)NC(=O)C4=CC5=C(C=C4)SC6=CC=CC=C6C(=O)N5

InChI

InChI=1S/C26H28N2O2S/c1-15(26-12-16-8-17(13-26)10-18(9-16)14-26)27-24(29)19-6-7-23-21(11-19)28-25(30)20-4-2-3-5-22(20)31-23/h2-7,11,15-18H,8-10,12-14H2,1H3,(H,27,29)(H,28,30)