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

Systemtic Name: 4-bromanyl-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 4-bromo-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 4-bromo-N-[[3-(1-oxopentylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-bromo-N-[[3-(pentanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 4-bromo-N-[[3-(valerylamino)phenyl]thiocarbamoyl]benzamide Formula: C19H20BrN3O2S MolecularWeight: 434.35

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN3O2S/c1-2-3-7-17(24)21-15-5-4-6-16(12-15)22-19(26)23-18(25)13-8-10-14(20)11-9-13/h4-6,8-12H,2-3,7H2,1H3,(H,21,24)(H2,22,23,25,26)