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

Systemtic Name: N-(2-methylphenyl)-1-(4-nitrophenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Openeye Name: 1-(4-nitrobenzoyl)-N-(o-tolyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide CAS Name: N-(2-methylphenyl)-1-[(4-nitrophenyl)-oxomethyl]-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide IUPAC Name: N-(2-methylphenyl)-1-(4-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Traditional Name: 1-(4-nitrobenzoyl)-N-(o-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=CC=C1NC(=O)N2CCC3(CC2)N(CCS3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1NC(=O)N2CCC3(CC2)N(CCS3)C(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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