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

Systemtic Name: (5S,7R)-3-chloranyl-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-chloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)adamantane-1-carboxamide CAS Name: (5S,7R)-3-chloro-N-[2-(methylthio)-1,3-benzothiazol-6-yl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-chloro-N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-chloro-N-[2-(methylthio)-1,3-benzothiazol-6-yl]adamantane-1-carboxamide Formula: C19H21ClN2OS2 MolecularWeight: 392.96584

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Cl

InChI

InChI=1S/C19H21ClN2OS2/c1-24-17-22-14-3-2-13(5-15(14)25-17)21-16(23)18-6-11-4-12(7-18)9-19(20,8-11)10-18/h2-3,5,11-12H,4,6-10H2,1H3,(H,21,23)/t11-,12+,18?,19?