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

Systemtic Name: 3-bromanyl-N-[[2-(tert-butylcarbamoyl)phenyl]carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[[2-(tert-butylcarbamoyl)phenyl]carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[2-[(tert-butylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[[2-(tert-butylcarbamoyl)phenyl]carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[[2-(tert-butylcarbamoyl)phenyl]thiocarbamoyl]-4-hexoxy-benzamide Formula: C25H32BrN3O3S MolecularWeight: 534.50888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC(C)(C)C)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC(C)(C)C)Br

InChI

InChI=1S/C25H32BrN3O3S/c1-5-6-7-10-15-32-21-14-13-17(16-19(21)26)22(30)28-24(33)27-20-12-9-8-11-18(20)23(31)29-25(2,3)4/h8-9,11-14,16H,5-7,10,15H2,1-4H3,(H,29,31)(H2,27,28,30,33)