5-bromanyl-2-butoxy-N-[[3-(2-phenylethanoylamino)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-butoxy-N-[[3-(2-phenylethanoylamino)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-butoxy-N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-butoxy-N-[[3-[(1-oxo-2-phenylethyl)amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-butoxy-N-[[3-[(2-phenylacetyl)amino]phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-butoxy-N-[[3-[(2-phenylacetyl)amino]phenyl]thiocarbamoyl]benzamide Formula: C26H26BrN3O3S MolecularWeight: 540.47194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC(=C2)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C26H26BrN3O3S/c1-2-3-14-33-23-13-12-19(27)16-22(23)25(32)30-26(34)29-21-11-7-10-20(17-21)28-24(31)15-18-8-5-4-6-9-18/h4-13,16-17H,2-3,14-15H2,1H3,(H,28,31)(H2,29,30,32,34)