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

Systemtic Name: N-(2-methylpropyl)-8-(3-nitrophenyl)carbonyl-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide Openeye Name: N-isobutyl-8-(3-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide CAS Name: N-(2-methylpropyl)-8-[(3-nitrophenyl)-oxomethyl]-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide IUPAC Name: N-(2-methylpropyl)-8-(3-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide Traditional Name: N-isobutyl-8-(3-nitrobenzoyl)-4-thia-1,8-diazaspiro[4.5]decane-2-carboxamide Formula: C19H26N4O4S MolecularWeight: 406.49914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O4S/c1-13(2)11-20-17(24)16-12-28-19(21-16)6-8-22(9-7-19)18(25)14-4-3-5-15(10-14)23(26)27/h3-5,10,13,16,21H,6-9,11-12H2,1-2H3,(H,20,24)