N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)adamantane-1-carboxamide

Systemtic Name: N-(7-chloranyl-4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)adamantane-1-carboxamide Openeye Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)adamantane-1-carboxamide CAS Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyridinylmethyl)-1-adamantanecarboxamide IUPAC Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(pyridin-2-ylmethyl)adamantane-1-carboxamide Traditional Name: N-(7-chloro-4-methoxy-1,3-benzothiazol-2-yl)-N-(2-pyridylmethyl)adamantane-1-carboxamide Formula: C25H26ClN3O2S MolecularWeight: 468.01084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)Cl)SC(=N2)N(CC3=CC=CC=N3)C(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC1=C2C(=C(C=C1)Cl)SC(=N2)N(CC3=CC=CC=N3)C(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H26ClN3O2S/c1-31-20-6-5-19(26)22-21(20)28-24(32-22)29(14-18-4-2-3-7-27-18)23(30)25-11-15-8-16(12-25)10-17(9-15)13-25/h2-7,15-17H,8-14H2,1H3