5-bromanyl-N-[[4-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-hexoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[4-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-hexoxy-benzamide Openeye Name: 5-bromo-N-[[4-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-hexoxy-benzamide CAS Name: 5-bromo-N-[[4-[(tert-butylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-hexoxybenzamide IUPAC Name: 5-bromo-N-[[4-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-hexoxybenzamide Traditional Name: 5-bromo-N-[[4-(tert-butylcarbamoyl)phenyl]thiocarbamoyl]-2-hexoxy-benzamide Formula: C25H32BrN3O3S MolecularWeight: 534.50888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NC(C)(C)C

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)C(=O)NC(C)(C)C

InChI

InChI=1S/C25H32BrN3O3S/c1-5-6-7-8-15-32-21-14-11-18(26)16-20(21)23(31)28-24(33)27-19-12-9-17(10-13-19)22(30)29-25(2,3)4/h9-14,16H,5-8,15H2,1-4H3,(H,29,30)(H2,27,28,31,33)