N-[2,4-bis(fluoranyl)phenyl]-1-(4-bromophenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide

Systemtic Name: N-[2,4-bis(fluoranyl)phenyl]-1-(4-bromophenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Openeye Name: 1-(4-bromobenzoyl)-N-(2,4-difluorophenyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide CAS Name: 1-[(4-bromophenyl)-oxomethyl]-N-(2,4-difluorophenyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide IUPAC Name: 1-(4-bromobenzoyl)-N-(2,4-difluorophenyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Traditional Name: 1-(4-bromobenzoyl)-N-(2,4-difluorophenyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Formula: C21H20BrF2N3O2S MolecularWeight: 496.368206

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12N(CCS2)C(=O)C3=CC=C(C=C3)Br)C(=O)NC4=C(C=C(C=C4)F)F

Isomeric SMILES

C1CN(CCC12N(CCS2)C(=O)C3=CC=C(C=C3)Br)C(=O)NC4=C(C=C(C=C4)F)F

InChI

InChI=1S/C21H20BrF2N3O2S/c22-15-3-1-14(2-4-15)19(28)27-11-12-30-21(27)7-9-26(10-8-21)20(29)25-18-6-5-16(23)13-17(18)24/h1-6,13H,7-12H2,(H,25,29)