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

Systemtic Name: 2-bromanyl-N-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 2-bromo-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: 2-bromo-N-[[[oxo-[4-(1-oxopentylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2-bromo-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 2-bromo-N-[[[4-(valerylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C20H21BrN4O3S MolecularWeight: 477.37474

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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=CC=C2Br

Isomeric SMILES

CCCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=CC=CC=C2Br

InChI

InChI=1S/C20H21BrN4O3S/c1-2-3-8-17(26)22-14-11-9-13(10-12-14)18(27)24-25-20(29)23-19(28)15-6-4-5-7-16(15)21/h4-7,9-12H,2-3,8H2,1H3,(H,22,26)(H,24,27)(H2,23,25,28,29)