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

Systemtic Name: N-(4-methylphenyl)-1-(3-nitrophenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Openeye Name: 1-(3-nitrobenzoyl)-N-(p-tolyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide CAS Name: N-(4-methylphenyl)-1-[(3-nitrophenyl)-oxomethyl]-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide IUPAC Name: N-(4-methylphenyl)-1-(3-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Traditional Name: 1-(3-nitrobenzoyl)-N-(p-tolyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O4S/c1-16-5-7-18(8-6-16)23-21(28)24-11-9-22(10-12-24)25(13-14-31-22)20(27)17-3-2-4-19(15-17)26(29)30/h2-8,15H,9-14H2,1H3,(H,23,28)