(5S,7R)-3-chloranyl-N-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: (5S,7R)-3-chloranyl-N-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: (5S,7R)-3-chloro-N-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: (5S,7R)-3-chloro-N-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: (5S,7R)-3-chloro-N-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]adamantane-1-carboxamide Traditional Name: (5S,7R)-3-chloro-N-[2-keto-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]ethyl]adamantane-1-carboxamide Formula: C21H24ClN3O2S MolecularWeight: 417.95216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O2S/c1-12-24-16-3-2-15(5-17(16)28-12)25-18(26)10-23-19(27)20-6-13-4-14(7-20)9-21(22,8-13)11-20/h2-3,5,13-14H,4,6-11H2,1H3,(H,23,27)(H,25,26)/t13-,14+,20?,21?