5-bromanyl-N-[[3-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[3-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[3-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[3-[(tert-butylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[3-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[3-(tert-butylcarbamoyl)phenyl]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C27H28BrN3O3S MolecularWeight: 554.49852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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