8-(2-chloranyl-4-nitro-phenyl)carbonyl-N-(2-methylbutyl)-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide

Systemtic Name: 8-(2-chloranyl-4-nitro-phenyl)carbonyl-N-(2-methylbutyl)-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide Openeye Name: 8-(2-chloro-4-nitro-benzoyl)-N-(2-methylbutyl)-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide CAS Name: 8-[(2-chloro-4-nitrophenyl)-oxomethyl]-N-(2-methylbutyl)-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide IUPAC Name: 8-(2-chloro-4-nitrobenzoyl)-N-(2-methylbutyl)-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide Traditional Name: 8-(2-chloro-4-nitro-benzoyl)-N-(2-methylbutyl)-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide Formula: C20H27ClN4O4S MolecularWeight: 454.97078

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CNC(=O)C1CSC2(N1)CCN(CC2)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCC(C)CNC(=O)C1CSC2(N1)CCN(CC2)C(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H27ClN4O4S/c1-3-13(2)11-22-18(26)17-12-30-20(23-17)6-8-24(9-7-20)19(27)15-5-4-14(25(28)29)10-16(15)21/h4-5,10,13,17,23H,3,6-9,11-12H2,1-2H3,(H,22,26)