1-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoylamino]-3-(2,4,4-trimethylpentan-2-yl)thiourea

Systemtic Name: 1-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoylamino]-3-(2,4,4-trimethylpentan-2-yl)thiourea Openeye Name: 1-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoylamino]-3-(1,1,3,3-tetramethylbutyl)thiourea CAS Name: 1-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxopropyl]amino]-3-(2,4,4-trimethylpentan-2-yl)thiourea IUPAC Name: 1-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]-3-(2,4,4-trimethylpentan-2-yl)thiourea Traditional Name: 1-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoylamino]-3-(1,1,3,3-tetramethylbutyl)thiourea Formula: C26H45N3O2S MolecularWeight: 463.7194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NC(=S)NNC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)CC(C)(C)NC(=S)NNC(=O)CCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

InChI

InChI=1S/C26H45N3O2S/c1-23(2,3)16-26(10,11)27-22(32)29-28-20(30)13-12-17-14-18(24(4,5)6)21(31)19(15-17)25(7,8)9/h14-15,31H,12-13,16H2,1-11H3,(H,28,30)(H2,27,29,32)