1-[1-(3-nitrophenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[1-(3-nitrophenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[1-(3-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[1-[(3-nitrophenyl)-oxomethyl]-4-thia-1,8-diazaspiro[4.5]decan-8-yl]-2-(phenylthio)ethanone IUPAC Name: 1-[1-(3-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decan-8-yl]-2-phenylsulfanylethanone Traditional Name: 1-[1-(3-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decan-8-yl]-2-(phenylthio)ethanone Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12N(CCS2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)CSC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC12N(CCS2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)CSC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O4S2/c26-20(16-30-19-7-2-1-3-8-19)23-11-9-22(10-12-23)24(13-14-31-22)21(27)17-5-4-6-18(15-17)25(28)29/h1-8,15H,9-14,16H2