N-[[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoylamino]carbamothioyl]benzamide

Systemtic Name: N-[[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoylamino]carbamothioyl]benzamide Openeye Name: N-[[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoylamino]carbamothioyl]benzamide CAS Name: N-[[[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoylamino]carbamothioyl]benzamide Traditional Name: N-[[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoylamino]thiocarbamoyl]benzamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)NNC(=S)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C25H33N3O3S/c1-24(2,3)18-14-16(15-19(21(18)30)25(4,5)6)12-13-20(29)27-28-23(32)26-22(31)17-10-8-7-9-11-17/h7-11,14-15,30H,12-13H2,1-6H3,(H,27,29)(H2,26,28,31,32)