4-bromanyl-N-[[3-(butanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 4-bromanyl-N-[[3-(butanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 4-bromo-N-[[3-(butanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 4-bromo-N-[[3-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-bromo-N-[[3-(butanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 4-bromo-N-[(3-butyramidophenyl)thiocarbamoyl]benzamide Formula: C18H18BrN3O2S MolecularWeight: 420.32342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O2S/c1-2-4-16(23)20-14-5-3-6-15(11-14)21-18(25)22-17(24)12-7-9-13(19)10-8-12/h3,5-11H,2,4H2,1H3,(H,20,23)(H2,21,22,24,25)