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

Systemtic Name: 5-bromanyl-N-[[4-(butanoylamino)phenyl]carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[[4-(butanoylamino)phenyl]carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[[4-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[[4-(butanoylamino)phenyl]carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-N-[(4-butyramidophenyl)thiocarbamoyl]-2-propoxy-benzamide Formula: C21H24BrN3O3S MolecularWeight: 478.40256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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