N-[3-[[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-[[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]amino]-3-oxidanylidene-propyl]adamantane-1-carboxamide Openeye Name: N-[3-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]-3-oxo-propyl]adamantane-1-carboxamide CAS Name: N-[3-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-1-adamantanecarboxamide IUPAC Name: N-[3-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]adamantane-1-carboxamide Traditional Name: N-[3-[(4,6-difluoro-1,3-benzothiazol-2-yl)amino]-3-keto-propyl]adamantane-1-carboxamide Formula: C21H23F2N3O2S MolecularWeight: 419.488026

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCC(=O)NC4=NC5=C(C=C(C=C5S4)F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCC(=O)NC4=NC5=C(C=C(C=C5S4)F)F

InChI

InChI=1S/C21H23F2N3O2S/c22-14-6-15(23)18-16(7-14)29-20(26-18)25-17(27)1-2-24-19(28)21-8-11-3-12(9-21)5-13(4-11)10-21/h6-7,11-13H,1-5,8-10H2,(H,24,28)(H,25,26,27)