3-bromanyl-N-[[2-(tert-butylcarbamoyl)phenyl]carbamothioyl]-4-ethoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[2-(tert-butylcarbamoyl)phenyl]carbamothioyl]-4-ethoxy-benzamide Openeye Name: 3-bromo-N-[[2-(tert-butylcarbamoyl)phenyl]carbamothioyl]-4-ethoxy-benzamide CAS Name: 3-bromo-N-[[2-[(tert-butylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: 3-bromo-N-[[2-(tert-butylcarbamoyl)phenyl]carbamothioyl]-4-ethoxybenzamide Traditional Name: 3-bromo-N-[[2-(tert-butylcarbamoyl)phenyl]thiocarbamoyl]-4-ethoxy-benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC(C)(C)C)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NC(C)(C)C)Br

InChI

InChI=1S/C21H24BrN3O3S/c1-5-28-17-11-10-13(12-15(17)22)18(26)24-20(29)23-16-9-7-6-8-14(16)19(27)25-21(2,3)4/h6-12H,5H2,1-4H3,(H,25,27)(H2,23,24,26,29)