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

Systemtic Name: 3-bromanyl-4-(2-methoxyethoxy)-N-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-(2-methoxyethoxy)-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-(2-methoxyethoxy)-N-[[[oxo-[4-(1-oxopentylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-(2-methoxyethoxy)-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-(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=CC(=C(C=C2)OCCOC)Br

Isomeric SMILES

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

InChI

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