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

Systemtic Name: N-(3-methylphenyl)-1-(3-nitrophenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Openeye Name: N-(m-tolyl)-1-(3-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide CAS Name: N-(3-methylphenyl)-1-[(3-nitrophenyl)-oxomethyl]-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide IUPAC Name: N-(3-methylphenyl)-1-(3-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Traditional Name: N-(m-tolyl)-1-(3-nitrobenzoyl)-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=C1)NC(=O)N2CCC3(CC2)N(CCS3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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