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

Systemtic Name: 3-bromanyl-4-methyl-N-[[[4-(pentanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 3-bromo-4-methyl-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-methyl-N-[[[oxo-[4-(1-oxopentylamino)phenyl]methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-methyl-N-[[[4-(pentanoylamino)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-methyl-N-[[[4-(valerylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C21H23BrN4O3S MolecularWeight: 491.40132

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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)C)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN4O3S/c1-3-4-5-18(27)23-16-10-8-14(9-11-16)20(29)25-26-21(30)24-19(28)15-7-6-13(2)17(22)12-15/h6-12H,3-5H2,1-2H3,(H,23,27)(H,25,29)(H2,24,26,28,30)