3-bromanyl-N-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamothioyl]-4-phenethyloxy-benzamide

Systemtic Name: 3-bromanyl-N-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamothioyl]-4-phenethyloxy-benzamide Openeye Name: 3-bromo-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]-4-phenethyloxy-benzamide CAS Name: 3-bromo-N-[[[oxo-[4-(1-oxopentylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]-4-phenethyloxybenzamide IUPAC Name: 3-bromo-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]-4-phenethyloxybenzamide Traditional Name: 3-bromo-4-phenethyloxy-N-[[[4-(valerylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C28H29BrN4O4S MolecularWeight: 597.52326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29BrN4O4S/c1-2-3-9-25(34)30-22-13-10-20(11-14-22)27(36)32-33-28(38)31-26(35)21-12-15-24(23(29)18-21)37-17-16-19-7-5-4-6-8-19/h4-8,10-15,18H,2-3,9,16-17H2,1H3,(H,30,34)(H,32,36)(H2,31,33,35,38)