5-bromanyl-2-butoxy-N-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-butoxy-N-[[4-[2-(2-chloranylphenoxy)propanoylamino]phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-butoxy-N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-butoxy-N-[[4-[[2-(2-chlorophenoxy)-1-oxopropyl]amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-butoxy-N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-butoxy-N-[[4-[2-(2-chlorophenoxy)propanoylamino]phenyl]thiocarbamoyl]benzamide Formula: C27H27BrClN3O4S MolecularWeight: 604.94298

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C(C)OC3=CC=CC=C3Cl

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C(C)OC3=CC=CC=C3Cl

InChI

InChI=1S/C27H27BrClN3O4S/c1-3-4-15-35-23-14-9-18(28)16-21(23)26(34)32-27(37)31-20-12-10-19(11-13-20)30-25(33)17(2)36-24-8-6-5-7-22(24)29/h5-14,16-17H,3-4,15H2,1-2H3,(H,30,33)(H2,31,32,34,37)