3-acetamido-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]adamantane-1-carboxamide

Systemtic Name: 3-acetamido-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]adamantane-1-carboxamide Openeye Name: 3-acetamido-N-[5-[(2,4-dichlorophenyl)methyl]thiazol-2-yl]adamantane-1-carboxamide CAS Name: 3-acetamido-N-[5-[(2,4-dichlorophenyl)methyl]-2-thiazolyl]-1-adamantanecarboxamide IUPAC Name: 3-acetamido-N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]adamantane-1-carboxamide Traditional Name: 3-acetamido-N-[5-(2,4-dichlorobenzyl)thiazol-2-yl]adamantane-1-carboxamide Formula: C23H25Cl2N3O2S MolecularWeight: 478.4345

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)NC4=NC=C(S4)CC5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)NC4=NC=C(S4)CC5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C23H25Cl2N3O2S/c1-13(29)28-23-9-14-4-15(10-23)8-22(7-14,12-23)20(30)27-21-26-11-18(31-21)5-16-2-3-17(24)6-19(16)25/h2-3,6,11,14-15H,4-5,7-10,12H2,1H3,(H,28,29)(H,26,27,30)