(5S,7R)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxidanyl-adamantane-1-carboxamide

Systemtic Name: (5S,7R)-N-(2-methyl-1,3-benzothiazol-6-yl)-3-oxidanyl-adamantane-1-carboxamide Openeye Name: (5S,7R)-3-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-hydroxy-N-(2-methyl-1,3-benzothiazol-6-yl)adamantane-1-carboxamide Formula: C19H22N2O2S MolecularWeight: 342.45518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O

InChI

InChI=1S/C19H22N2O2S/c1-11-20-15-3-2-14(5-16(15)24-11)21-17(22)18-6-12-4-13(7-18)9-19(23,8-12)10-18/h2-3,5,12-13,23H,4,6-10H2,1H3,(H,21,22)/t12-,13+,18?,19?