5-bromanyl-N-[[3-(butanoylamino)phenyl]carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[3-(butanoylamino)phenyl]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[3-(butanoylamino)phenyl]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[3-(1-oxobutylamino)anilino]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[3-(butanoylamino)phenyl]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[(3-butyramidophenyl)thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C26H26BrN3O3S MolecularWeight: 540.47194

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C26H26BrN3O3S/c1-2-7-24(31)28-20-10-6-11-21(17-20)29-26(34)30-25(32)22-16-19(27)12-13-23(22)33-15-14-18-8-4-3-5-9-18/h3-6,8-13,16-17H,2,7,14-15H2,1H3,(H,28,31)(H2,29,30,32,34)