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

Systemtic Name: N-[5-(1,3-benzodioxol-5-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-ylidene]adamantane-1-carboxamide Openeye Name: N-[5-(1,3-benzodioxol-5-yl)-3-(2-methoxyethyl)thiazol-2-ylidene]adamantane-1-carboxamide CAS Name: N-[5-(1,3-benzodioxol-5-yl)-3-(2-methoxyethyl)-2-thiazolylidene]-1-adamantanecarboxamide IUPAC Name: N-[5-(1,3-benzodioxol-5-yl)-3-(2-methoxyethyl)-1,3-thiazol-2-ylidene]adamantane-1-carboxamide Traditional Name: N-[5-(1,3-benzodioxol-5-yl)-3-(2-methoxyethyl)-4-thiazolin-2-ylidene]adamantane-1-carboxamide Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C=C(SC1=NC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

COCCN1C=C(SC1=NC(=O)C23CC4CC(C2)CC(C4)C3)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C24H28N2O4S/c1-28-5-4-26-13-21(18-2-3-19-20(9-18)30-14-29-19)31-23(26)25-22(27)24-10-15-6-16(11-24)8-17(7-15)12-24/h2-3,9,13,15-17H,4-8,10-12,14H2,1H3