(5S,7R)-N-[4-(2-azanyl-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]-3-chloranyl-adamantane-1-carboxamide

Systemtic Name: (5S,7R)-N-[4-(2-azanyl-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]-3-chloranyl-adamantane-1-carboxamide Openeye Name: (5S,7R)-N-[4-(2-amino-2-oxo-ethyl)thiazol-2-yl]-3-chloro-adamantane-1-carboxamide CAS Name: (5S,7R)-N-[4-(2-amino-2-oxoethyl)-2-thiazolyl]-3-chloro-1-adamantanecarboxamide IUPAC Name: (5S,7R)-N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-chloroadamantane-1-carboxamide Traditional Name: (5S,7R)-N-[4-(2-amino-2-keto-ethyl)thiazol-2-yl]-3-chloro-adamantane-1-carboxamide Formula: C16H20ClN3O2S MolecularWeight: 353.8669

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN3O2S/c17-16-5-9-1-10(6-16)4-15(3-9,8-16)13(22)20-14-19-11(7-23-14)2-12(18)21/h7,9-10H,1-6,8H2,(H2,18,21)(H,19,20,22)/t9-,10+,15?,16?