2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(6-fluoranyl-1,3-benzothiazol-2-yl)benzamide

Systemtic Name: 2-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-N-(6-fluoranyl-1,3-benzothiazol-2-yl)benzamide Openeye Name: 2-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide CAS Name: 2-[[2-(1-adamantylamino)-2-oxoethyl]thio]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide IUPAC Name: 2-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide Traditional Name: 2-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-N-(6-fluoro-1,3-benzothiazol-2-yl)benzamide Formula: C26H26FN3O2S2 MolecularWeight: 495.631943

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)NC5=NC6=C(S5)C=C(C=C6)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)CSC4=CC=CC=C4C(=O)NC5=NC6=C(S5)C=C(C=C6)F

InChI

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