N-(2,3-dimethylphenyl)-1-(4-nitrophenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide

Systemtic Name: N-(2,3-dimethylphenyl)-1-(4-nitrophenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Openeye Name: N-(2,3-dimethylphenyl)-1-(4-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide CAS Name: N-(2,3-dimethylphenyl)-1-[(4-nitrophenyl)-oxomethyl]-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide IUPAC Name: N-(2,3-dimethylphenyl)-1-(4-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Traditional Name: N-(2,3-dimethylphenyl)-1-(4-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O4S/c1-16-4-3-5-20(17(16)2)24-22(29)25-12-10-23(11-13-25)26(14-15-32-23)21(28)18-6-8-19(9-7-18)27(30)31/h3-9H,10-15H2,1-2H3,(H,24,29)