3-bromanyl-N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-4-hexoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-N-[[3-[(2,2-dimethyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]-4-hexoxybenzamide IUPAC Name: 3-bromo-N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-4-hexoxy-N-[[3-(pivaloylamino)phenyl]thiocarbamoyl]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(=C2)NC(=O)C(C)(C)C)Br

Isomeric SMILES

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

InChI

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