N-[2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]adamantane-1-carboxamide

Systemtic Name: N-[2-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-benzothiazol-6-yl]adamantane-1-carboxamide Openeye Name: N-[2-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanyl-1,3-benzothiazol-6-yl]adamantane-1-carboxamide CAS Name: N-[2-[[2-(4-fluoroanilino)-2-oxoethyl]thio]-1,3-benzothiazol-6-yl]-1-adamantanecarboxamide IUPAC Name: N-[2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]adamantane-1-carboxamide Traditional Name: N-[2-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]-1,3-benzothiazol-6-yl]adamantane-1-carboxamide Formula: C26H26FN3O2S2 MolecularWeight: 495.631943

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC5=C(C=C4)N=C(S5)SCC(=O)NC6=CC=C(C=C6)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC5=C(C=C4)N=C(S5)SCC(=O)NC6=CC=C(C=C6)F

InChI

InChI=1S/C26H26FN3O2S2/c27-18-1-3-19(4-2-18)28-23(31)14-33-25-30-21-6-5-20(10-22(21)34-25)29-24(32)26-11-15-7-16(12-26)9-17(8-15)13-26/h1-6,10,15-17H,7-9,11-14H2,(H,28,31)(H,29,32)