3-bromanyl-4-butoxy-N-[[3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-butoxy-N-[[3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[3-[(cyclohexylamino)-oxomethyl]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[[3-(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)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3CCCCC3)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3CCCCC3)Br

InChI

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