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

Systemtic Name: 3-bromanyl-N-[[4-(butanoylamino)phenyl]carbamothioyl]-4-hexoxy-benzamide Openeye Name: 3-bromo-N-[[4-(butanoylamino)phenyl]carbamothioyl]-4-hexoxy-benzamide CAS Name: 3-bromo-4-hexoxy-N-[[4-(1-oxobutylamino)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[4-(butanoylamino)phenyl]carbamothioyl]-4-hexoxybenzamide Traditional Name: 3-bromo-N-[(4-butyramidophenyl)thiocarbamoyl]-4-hexoxy-benzamide Formula: C24H30BrN3O3S MolecularWeight: 520.4823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCC)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)CCC)Br

InChI

InChI=1S/C24H30BrN3O3S/c1-3-5-6-7-15-31-21-14-9-17(16-20(21)25)23(30)28-24(32)27-19-12-10-18(11-13-19)26-22(29)8-4-2/h9-14,16H,3-8,15H2,1-2H3,(H,26,29)(H2,27,28,30,32)