5-bromanyl-N-[[4-(butanoylamino)phenyl]carbamothioyl]-2-ethoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[4-(butanoylamino)phenyl]carbamothioyl]-2-ethoxy-benzamide Openeye Name: 5-bromo-N-[[4-(butanoylamino)phenyl]carbamothioyl]-2-ethoxy-benzamide CAS Name: 5-bromo-2-ethoxy-N-[[4-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-N-[[4-(butanoylamino)phenyl]carbamothioyl]-2-ethoxybenzamide Traditional Name: 5-bromo-N-[(4-butyramidophenyl)thiocarbamoyl]-2-ethoxy-benzamide Formula: C20H22BrN3O3S MolecularWeight: 464.37598

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCC

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCC

InChI

InChI=1S/C20H22BrN3O3S/c1-3-5-18(25)22-14-7-9-15(10-8-14)23-20(28)24-19(26)16-12-13(21)6-11-17(16)27-4-2/h6-12H,3-5H2,1-2H3,(H,22,25)(H2,23,24,26,28)