3-bromanyl-N-[[3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide

Systemtic Name: 3-bromanyl-N-[[3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Openeye Name: 3-bromo-N-[[3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-isobutoxy-benzamide CAS Name: 3-bromo-N-[[3-[(cyclohexylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-(2-methylpropoxy)benzamide IUPAC Name: 3-bromo-N-[[3-(cyclohexylcarbamoyl)phenyl]carbamothioyl]-4-(2-methylpropoxy)benzamide Traditional Name: 3-bromo-N-[[3-(cyclohexylcarbamoyl)phenyl]thiocarbamoyl]-4-isobutoxy-benzamide Formula: C25H30BrN3O3S MolecularWeight: 532.493

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3CCCCC3)Br

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC3CCCCC3)Br

InChI

InChI=1S/C25H30BrN3O3S/c1-16(2)15-32-22-12-11-18(14-21(22)26)24(31)29-25(33)28-20-10-6-7-17(13-20)23(30)27-19-8-4-3-5-9-19/h6-7,10-14,16,19H,3-5,8-9,15H2,1-2H3,(H,27,30)(H2,28,29,31,33)