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

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30BrN3O3S/c1-2-3-15-32-22-14-11-18(16-21(22)26)24(31)29-25(33)28-20-12-9-17(10-13-20)23(30)27-19-7-5-4-6-8-19/h9-14,16,19H,2-8,15H2,1H3,(H,27,30)(H2,28,29,31,33)