N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)adamantane-1-carboxamide

Systemtic Name: N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)adamantane-1-carboxamide Openeye Name: N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)adamantane-1-carboxamide CAS Name: N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-1-adamantanecarboxamide IUPAC Name: N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)adamantane-1-carboxamide Traditional Name: N-(7-methoxy-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)adamantane-1-carboxamide Formula: C23H26N2O2S MolecularWeight: 394.52974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(CC2)SC(=N3)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(CC2)SC(=N3)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C23H26N2O2S/c1-27-17-3-4-18-16(9-17)2-5-19-20(18)24-22(28-19)25-21(26)23-10-13-6-14(11-23)8-15(7-13)12-23/h3-4,9,13-15H,2,5-8,10-12H2,1H3,(H,24,25,26)