N-[2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-thiazol-2-yl]amino]-2-oxo-ethyl]adamantane-1-carboxamide CAS Name: N-[2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2-thiazolyl]amino]-2-oxoethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[[5-(1,3-benzodioxol-5-ylmethyl)-4-methyl-1,3-thiazol-2-yl]amino]-2-oxoethyl]adamantane-1-carboxamide Traditional Name: N-[2-keto-2-[(4-methyl-5-piperonyl-thiazol-2-yl)amino]ethyl]adamantane-1-carboxamide Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)CNC(=O)C23CC4CC(C2)CC(C4)C3)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C25H29N3O4S/c1-14-21(8-15-2-3-19-20(7-15)32-13-31-19)33-24(27-14)28-22(29)12-26-23(30)25-9-16-4-17(10-25)6-18(5-16)11-25/h2-3,7,16-18H,4-6,8-13H2,1H3,(H,26,30)(H,27,28,29)