N-(2-fluorophenyl)-1-(3-nitrophenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide

Systemtic Name: N-(2-fluorophenyl)-1-(3-nitrophenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Openeye Name: N-(2-fluorophenyl)-1-(3-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide CAS Name: N-(2-fluorophenyl)-1-[(3-nitrophenyl)-oxomethyl]-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide IUPAC Name: N-(2-fluorophenyl)-1-(3-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Traditional Name: N-(2-fluorophenyl)-1-(3-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Formula: C21H21FN4O4S MolecularWeight: 444.479243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12N(CCS2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4F

Isomeric SMILES

C1CN(CCC12N(CCS2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NC4=CC=CC=C4F

InChI

InChI=1S/C21H21FN4O4S/c22-17-6-1-2-7-18(17)23-20(28)24-10-8-21(9-11-24)25(12-13-31-21)19(27)15-4-3-5-16(14-15)26(29)30/h1-7,14H,8-13H2,(H,23,28)