N-[3-[(4-tert-butylphenyl)methyl]-4,5-dimethyl-1,3-thiazol-2-ylidene]adamantane-1-carboxamide

Systemtic Name: N-[3-[(4-tert-butylphenyl)methyl]-4,5-dimethyl-1,3-thiazol-2-ylidene]adamantane-1-carboxamide Openeye Name: N-[3-[(4-tert-butylphenyl)methyl]-4,5-dimethyl-thiazol-2-ylidene]adamantane-1-carboxamide CAS Name: N-[3-[(4-tert-butylphenyl)methyl]-4,5-dimethyl-2-thiazolylidene]-1-adamantanecarboxamide IUPAC Name: N-[3-[(4-tert-butylphenyl)methyl]-4,5-dimethyl-1,3-thiazol-2-ylidene]adamantane-1-carboxamide Traditional Name: N-[3-(4-tert-butylbenzyl)-4,5-dimethyl-4-thiazolin-2-ylidene]adamantane-1-carboxamide Formula: C27H36N2OS MolecularWeight: 436.65254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=NC(=O)C23CC4CC(C2)CC(C4)C3)N1CC5=CC=C(C=C5)C(C)(C)C)C

Isomeric SMILES

CC1=C(SC(=NC(=O)C23CC4CC(C2)CC(C4)C3)N1CC5=CC=C(C=C5)C(C)(C)C)C

InChI

InChI=1S/C27H36N2OS/c1-17-18(2)31-25(29(17)16-19-6-8-23(9-7-19)26(3,4)5)28-24(30)27-13-20-10-21(14-27)12-22(11-20)15-27/h6-9,20-22H,10-16H2,1-5H3