8-(4-methyl-3-nitro-phenyl)carbonyl-N-phenethyl-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide

Systemtic Name: 8-(4-methyl-3-nitro-phenyl)carbonyl-N-phenethyl-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide Openeye Name: 8-(4-methyl-3-nitro-benzoyl)-N-phenethyl-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide CAS Name: 8-[(4-methyl-3-nitrophenyl)-oxomethyl]-N-phenethyl-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide IUPAC Name: 8-(4-methyl-3-nitrobenzoyl)-N-phenethyl-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide Traditional Name: 8-(4-methyl-3-nitro-benzoyl)-N-phenethyl-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide Formula: C24H28N4O4S MolecularWeight: 468.56852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)N2CCC3(CC2)NC(CS3)C(=O)NCCC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N2CCC3(CC2)NC(CS3)C(=O)NCCC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H28N4O4S/c1-17-7-8-19(15-21(17)28(31)32)23(30)27-13-10-24(11-14-27)26-20(16-33-24)22(29)25-12-9-18-5-3-2-4-6-18/h2-8,15,20,26H,9-14,16H2,1H3,(H,25,29)