N-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)adamantane-1-carboxamide

Systemtic Name: N-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)adamantane-1-carboxamide Openeye Name: N-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)adamantane-1-carboxamide CAS Name: N-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)-1-adamantanecarboxamide IUPAC Name: N-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)adamantane-1-carboxamide Traditional Name: N-(7-methoxy-8-methyl-4,5-dihydrobenzo[e][1,3]benzothiazol-2-yl)adamantane-1-carboxamide Formula: C24H28N2O2S MolecularWeight: 408.55632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2CCC3=C(C2=C1)N=C(S3)NC(=O)C45CC6CC(C4)CC(C6)C5)OC

Isomeric SMILES

CC1=C(C=C2CCC3=C(C2=C1)N=C(S3)NC(=O)C45CC6CC(C4)CC(C6)C5)OC

InChI

InChI=1S/C24H28N2O2S/c1-13-5-18-17(9-19(13)28-2)3-4-20-21(18)25-23(29-20)26-22(27)24-10-14-6-15(11-24)8-16(7-14)12-24/h5,9,14-16H,3-4,6-8,10-12H2,1-2H3,(H,25,26,27)