N-[(Z)-[3-methyl-6-(trifluoromethyloxy)-1,3-benzothiazol-2-ylidene]amino]adamantane-1-carboxamide

Systemtic Name: N-[(Z)-[3-methyl-6-(trifluoromethyloxy)-1,3-benzothiazol-2-ylidene]amino]adamantane-1-carboxamide Openeye Name: N-[(Z)-[3-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]amino]adamantane-1-carboxamide CAS Name: N-[(Z)-[3-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]amino]-1-adamantanecarboxamide IUPAC Name: N-[(Z)-[3-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]amino]adamantane-1-carboxamide Traditional Name: N-[(Z)-[3-methyl-6-(trifluoromethoxy)-1,3-benzothiazol-2-ylidene]amino]adamantane-1-carboxamide Formula: C20H22F3N3O2S MolecularWeight: 425.46779

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)OC(F)(F)F)SC1=NNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN\1C2=C(C=C(C=C2)OC(F)(F)F)S/C1=N\NC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H22F3N3O2S/c1-26-15-3-2-14(28-20(21,22)23)7-16(15)29-18(26)25-24-17(27)19-8-11-4-12(9-19)6-13(5-11)10-19/h2-3,7,11-13H,4-6,8-10H2,1H3,(H,24,27)/b25-18-