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

Systemtic Name: N-(1-adamantyl)-1-(3-nitrophenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Openeye Name: N-(1-adamantyl)-1-(3-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide CAS Name: N-(1-adamantyl)-1-[(3-nitrophenyl)-oxomethyl]-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide IUPAC Name: N-(1-adamantyl)-1-(3-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Traditional Name: N-(1-adamantyl)-1-(3-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Formula: C25H32N4O4S MolecularWeight: 484.61098

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12N(CCS2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1CN(CCC12N(CCS2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H32N4O4S/c30-22(20-2-1-3-21(13-20)29(32)33)28-8-9-34-25(28)4-6-27(7-5-25)23(31)26-24-14-17-10-18(15-24)12-19(11-17)16-24/h1-3,13,17-19H,4-12,14-16H2,(H,26,31)