1-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylethanoylamino]-3-(3-nitrophenyl)urea

Systemtic Name: 1-[2-(3,5-ditert-butyl-4-oxidanyl-phenyl)sulfanylethanoylamino]-3-(3-nitrophenyl)urea Openeye Name: 1-[[2-(3,5-ditert-butyl-4-hydroxy-phenyl)sulfanylacetyl]amino]-3-(3-nitrophenyl)urea CAS Name: 1-[[2-[(3,5-ditert-butyl-4-hydroxyphenyl)thio]-1-oxoethyl]amino]-3-(3-nitrophenyl)urea IUPAC Name: 1-[[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylacetyl]amino]-3-(3-nitrophenyl)urea Traditional Name: 1-[[2-[(3,5-ditert-butyl-4-hydroxy-phenyl)thio]acetyl]amino]-3-(3-nitrophenyl)urea Formula: C23H30N4O5S MolecularWeight: 474.5731

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCC(=O)NNC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SCC(=O)NNC(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C23H30N4O5S/c1-22(2,3)17-11-16(12-18(20(17)29)23(4,5)6)33-13-19(28)25-26-21(30)24-14-8-7-9-15(10-14)27(31)32/h7-12,29H,13H2,1-6H3,(H,25,28)(H2,24,26,30)