5-bromanyl-2-butoxy-N-[[2-(cyclohexylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-butoxy-N-[[2-(cyclohexylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-butoxy-N-[[2-(cyclohexylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-butoxy-N-[[2-[(cyclohexylamino)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-butoxy-N-[[2-(cyclohexylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-butoxy-N-[[2-(cyclohexylcarbamoyl)phenyl]thiocarbamoyl]benzamide Formula: C25H30BrN3O3S MolecularWeight: 532.493

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3CCCCC3

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC3CCCCC3

InChI

InChI=1S/C25H30BrN3O3S/c1-2-3-15-32-22-14-13-17(26)16-20(22)24(31)29-25(33)28-21-12-8-7-11-19(21)23(30)27-18-9-5-4-6-10-18/h7-8,11-14,16,18H,2-6,9-10,15H2,1H3,(H,27,30)(H2,28,29,31,33)