(4-methyl-3-nitro-phenyl)-[1-(2-methylphenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decan-8-yl]methanone

Systemtic Name: (4-methyl-3-nitro-phenyl)-[1-(2-methylphenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decan-8-yl]methanone Openeye Name: [1-(2-methylbenzoyl)-4-thia-1,8-diazaspiro[4.5]decan-8-yl]-(4-methyl-3-nitro-phenyl)methanone CAS Name: (4-methyl-3-nitrophenyl)-[1-[(2-methylphenyl)-oxomethyl]-4-thia-1,8-diazaspiro[4.5]decan-8-yl]methanone IUPAC Name: [1-(2-methylbenzoyl)-4-thia-1,8-diazaspiro[4.5]decan-8-yl]-(4-methyl-3-nitrophenyl)methanone Traditional Name: (4-methyl-3-nitro-phenyl)-(1-o-toluoyl-4-thia-1,8-diazaspiro[4.5]decan-8-yl)methanone Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCC3(CC2)N(CCS3)C(=O)C4=CC=CC=C4C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCC3(CC2)N(CCS3)C(=O)C4=CC=CC=C4C)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O4S/c1-16-5-3-4-6-19(16)22(28)25-13-14-31-23(25)9-11-24(12-10-23)21(27)18-8-7-17(2)20(15-18)26(29)30/h3-8,15H,9-14H2,1-2H3