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

Systemtic Name: 1-(3-methylphenyl)-N-(4-nitrophenyl)-2-oxidanylidene-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Openeye Name: 1-(m-tolyl)-N-(4-nitrophenyl)-2-oxo-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide CAS Name: 1-(3-methylphenyl)-N-(4-nitrophenyl)-2-oxo-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide IUPAC Name: 1-(3-methylphenyl)-N-(4-nitrophenyl)-2-oxo-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Traditional Name: 2-keto-1-(m-tolyl)-N-(4-nitrophenyl)-4-thia-1,8-diazaspiro[4.5]decane-8-carboxamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=O)CSC23CCN(CC3)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=O)CSC23CCN(CC3)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4S/c1-15-3-2-4-18(13-15)24-19(26)14-30-21(24)9-11-23(12-10-21)20(27)22-16-5-7-17(8-6-16)25(28)29/h2-8,13H,9-12,14H2,1H3,(H,22,27)