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

Systemtic Name: (5S,7R)-N-(6-chloranyl-1,3-benzothiazol-2-yl)-3-oxidanyl-adamantane-1-carboxamide Openeye Name: (5S,7R)-N-(6-chloro-1,3-benzothiazol-2-yl)-3-hydroxy-adamantane-1-carboxamide CAS Name: (5S,7R)-N-(6-chloro-1,3-benzothiazol-2-yl)-3-hydroxy-1-adamantanecarboxamide IUPAC Name: (5S,7R)-N-(6-chloro-1,3-benzothiazol-2-yl)-3-hydroxyadamantane-1-carboxamide Traditional Name: (5S,7R)-N-(6-chloro-1,3-benzothiazol-2-yl)-3-hydroxy-adamantane-1-carboxamide Formula: C18H19ClN2O2S MolecularWeight: 362.87366

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)NC4=NC5=C(S4)C=C(C=C5)Cl

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)C(=O)NC4=NC5=C(S4)C=C(C=C5)Cl

InChI

InChI=1S/C18H19ClN2O2S/c19-12-1-2-13-14(4-12)24-16(20-13)21-15(22)17-5-10-3-11(6-17)8-18(23,7-10)9-17/h1-2,4,10-11,23H,3,5-9H2,(H,20,21,22)/t10-,11+,17?,18?