5-bromanyl-N-[[2-(butylcarbamoyl)phenyl]carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[2-(butylcarbamoyl)phenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[2-(butylcarbamoyl)phenyl]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[2-[butylamino(oxo)methyl]anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[2-(butylcarbamoyl)phenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[2-(butylcarbamoyl)phenyl]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C27H28BrN3O3S MolecularWeight: 554.49852

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CCCCNC(=O)C1=CC=CC=C1NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C27H28BrN3O3S/c1-2-3-16-29-25(32)21-11-7-8-12-23(21)30-27(35)31-26(33)22-18-20(28)13-14-24(22)34-17-15-19-9-5-4-6-10-19/h4-14,18H,2-3,15-17H2,1H3,(H,29,32)(H2,30,31,33,35)