5-bromanyl-N-[[4-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[4-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[4-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[4-[(tert-butylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[4-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[4-(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=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC=C(C=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)19-9-12-21(13-10-19)29-26(35)30-25(33)22-17-20(28)11-14-23(22)34-16-15-18-7-5-4-6-8-18/h4-14,17H,15-16H2,1-3H3,(H,31,32)(H2,29,30,33,35)