4-tert-butyl-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 4-tert-butyl-N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: 4-tert-butyl-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]benzamide CAS Name: 4-tert-butyl-N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-tert-butyl-N-[[(4-hexoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: 4-tert-butyl-N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]benzamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C25H33N3O3S/c1-5-6-7-8-17-31-21-15-11-19(12-16-21)23(30)27-28-24(32)26-22(29)18-9-13-20(14-10-18)25(2,3)4/h9-16H,5-8,17H2,1-4H3,(H,27,30)(H2,26,28,29,32)