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

Systemtic Name: 1-(3-methylbutanoyl)-N-(4-nitrophenyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Openeye Name: 1-(3-methylbutanoyl)-N-(4-nitrophenyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide CAS Name: 1-(3-methyl-1-oxobutyl)-N-(4-nitrophenyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide IUPAC Name: 1-(3-methylbutanoyl)-N-(4-nitrophenyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Traditional Name: 1-isovaleryl-N-(4-nitrophenyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Formula: C19H26N4O4S MolecularWeight: 406.49914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCSC12CCN(CC2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(=O)N1CCSC12CCN(CC2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

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