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

Systemtic Name: N-(2-methylbutyl)-8-(4-nitrophenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide Openeye Name: N-(2-methylbutyl)-8-(4-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide CAS Name: N-(2-methylbutyl)-8-[(4-nitrophenyl)-oxomethyl]-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide IUPAC Name: N-(2-methylbutyl)-8-(4-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide Traditional Name: N-(2-methylbutyl)-8-(4-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide Formula: C20H28N4O4S MolecularWeight: 420.52572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O4S/c1-3-14(2)12-21-18(25)17-13-29-20(22-17)8-10-23(11-9-20)19(26)15-4-6-16(7-5-15)24(27)28/h4-7,14,17,22H,3,8-13H2,1-2H3,(H,21,25)