5-bromanyl-N-[[3-(propanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: 5-bromanyl-N-[[3-(propanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-bromo-N-[[3-(propanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-bromo-N-[[3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-bromo-N-[[3-(propanoylamino)phenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-bromo-N-[(3-propionamidophenyl)thiocarbamoyl]-1-naphthamide Formula: C21H18BrN3O2S MolecularWeight: 456.35552

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br

Isomeric SMILES

CCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=CC=CC3=C2C=CC=C3Br

InChI

InChI=1S/C21H18BrN3O2S/c1-2-19(26)23-13-6-3-7-14(12-13)24-21(28)25-20(27)17-10-4-9-16-15(17)8-5-11-18(16)22/h3-12H,2H2,1H3,(H,23,26)(H2,24,25,27,28)