N-[4,5-dimethyl-3-(pyridin-4-ylmethyl)-1,3-thiazol-2-ylidene]adamantane-1-carboxamide

Systemtic Name: N-[4,5-dimethyl-3-(pyridin-4-ylmethyl)-1,3-thiazol-2-ylidene]adamantane-1-carboxamide Openeye Name: N-[4,5-dimethyl-3-(4-pyridylmethyl)thiazol-2-ylidene]adamantane-1-carboxamide CAS Name: N-[4,5-dimethyl-3-(pyridin-4-ylmethyl)-2-thiazolylidene]-1-adamantanecarboxamide IUPAC Name: N-[4,5-dimethyl-3-(pyridin-4-ylmethyl)-1,3-thiazol-2-ylidene]adamantane-1-carboxamide Traditional Name: N-[4,5-dimethyl-3-(4-pyridylmethyl)-4-thiazolin-2-ylidene]adamantane-1-carboxamide Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3OS/c1-14-15(2)27-21(25(14)13-16-3-5-23-6-4-16)24-20(26)22-10-17-7-18(11-22)9-19(8-17)12-22/h3-6,17-19H,7-13H2,1-2H3