N-[3-(2-methoxyethyl)-5-quinolin-4-yl-1,3-thiazol-2-ylidene]adamantane-1-carboxamide

Systemtic Name: N-[3-(2-methoxyethyl)-5-quinolin-4-yl-1,3-thiazol-2-ylidene]adamantane-1-carboxamide Openeye Name: N-[3-(2-methoxyethyl)-5-(4-quinolyl)thiazol-2-ylidene]adamantane-1-carboxamide CAS Name: N-[3-(2-methoxyethyl)-5-(4-quinolinyl)-2-thiazolylidene]-1-adamantanecarboxamide IUPAC Name: N-[3-(2-methoxyethyl)-5-quinolin-4-yl-1,3-thiazol-2-ylidene]adamantane-1-carboxamide Traditional Name: N-[3-(2-methoxyethyl)-5-(4-quinolyl)-4-thiazolin-2-ylidene]adamantane-1-carboxamide Formula: C26H29N3O2S MolecularWeight: 447.59236

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C=C(SC1=NC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=NC6=CC=CC=C56

Isomeric SMILES

COCCN1C=C(SC1=NC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC=NC6=CC=CC=C56

InChI

InChI=1S/C26H29N3O2S/c1-31-9-8-29-16-23(21-6-7-27-22-5-3-2-4-20(21)22)32-25(29)28-24(30)26-13-17-10-18(14-26)12-19(11-17)15-26/h2-7,16-19H,8-15H2,1H3