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

Systemtic Name: 2-bromanyl-N-[[4-(butanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[4-(butanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[4-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[4-(butanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[(4-butyramidophenyl)thiocarbamoyl]benzamide Formula: C18H18BrN3O2S MolecularWeight: 420.32342

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2Br

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)NC(=S)NC(=O)C2=CC=CC=C2Br

InChI

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