5-bromanyl-2-(2-methoxyethoxy)-N-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-(2-methoxyethoxy)-N-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-(2-methoxyethoxy)-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: 5-bromo-2-(2-methoxyethoxy)-N-[[[oxo-[4-(1-oxopentylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-(2-methoxyethoxy)-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 5-bromo-2-(2-methoxyethoxy)-N-[[[4-(valerylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C23H27BrN4O5S MolecularWeight: 551.45328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27BrN4O5S/c1-3-4-5-20(29)25-17-9-6-15(7-10-17)21(30)27-28-23(34)26-22(31)18-14-16(24)8-11-19(18)33-13-12-32-2/h6-11,14H,3-5,12-13H2,1-2H3,(H,25,29)(H,27,30)(H2,26,28,31,34)