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

Systemtic Name: 5-bromanyl-N-[[3-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-propan-2-yloxy-benzamide Openeye Name: 5-bromo-N-[[3-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-isopropoxy-benzamide CAS Name: 5-bromo-N-[[3-[(tert-butylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-propan-2-yloxybenzamide IUPAC Name: 5-bromo-N-[[3-(tert-butylcarbamoyl)phenyl]carbamothioyl]-2-propan-2-yloxybenzamide Traditional Name: 5-bromo-N-[[3-(tert-butylcarbamoyl)phenyl]thiocarbamoyl]-2-isopropoxy-benzamide Formula: C22H26BrN3O3S MolecularWeight: 492.42914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC(C)(C)C

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NC(C)(C)C

InChI

InChI=1S/C22H26BrN3O3S/c1-13(2)29-18-10-9-15(23)12-17(18)20(28)25-21(30)24-16-8-6-7-14(11-16)19(27)26-22(3,4)5/h6-13H,1-5H3,(H,26,27)(H2,24,25,28,30)