(5S,7R)-3-chloranyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-chloranyl-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)adamantane-1-carboxamide Openeye Name: (5S,7R)-3-chloro-N-[4-(3-pyridyl)thiazol-2-yl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-chloro-N-[4-(3-pyridinyl)-2-thiazolyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-chloro-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)adamantane-1-carboxamide Traditional Name: (5S,7R)-3-chloro-N-[4-(3-pyridyl)thiazol-2-yl]adamantane-1-carboxamide Formula: C19H20ClN3OS MolecularWeight: 373.8996

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)NC4=NC(=CS4)C5=CN=CC=C5

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Cl)C(=O)NC4=NC(=CS4)C5=CN=CC=C5

InChI

InChI=1S/C19H20ClN3OS/c20-19-7-12-4-13(8-19)6-18(5-12,11-19)16(24)23-17-22-15(10-25-17)14-2-1-3-21-9-14/h1-3,9-10,12-13H,4-8,11H2,(H,22,23,24)/t12-,13+,18?,19?