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

Systemtic Name: 3-bromanyl-4-butoxy-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-butoxy-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-butoxy-N-[[4-(1-oxopropylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-butoxy-N-[[4-(propanoylamino)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-butoxy-N-[(4-propionamidophenyl)thiocarbamoyl]benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CC)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CC)Br

InChI

InChI=1S/C21H24BrN3O3S/c1-3-5-12-28-18-11-6-14(13-17(18)22)20(27)25-21(29)24-16-9-7-15(8-10-16)23-19(26)4-2/h6-11,13H,3-5,12H2,1-2H3,(H,23,26)(H2,24,25,27,29)