5-bromanyl-2-methoxy-N-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-methoxy-N-[[[4-(3-methylbutanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-N-[[[[4-[(3-methyl-1-oxobutyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-N-[[[4-(3-methylbutanoylamino)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 5-bromo-N-[[[4-(isovalerylamino)benzoyl]amino]thiocarbamoyl]-2-methoxy-benzamide Formula: C21H23BrN4O4S MolecularWeight: 507.40072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN4O4S/c1-12(2)10-18(27)23-15-7-4-13(5-8-15)19(28)25-26-21(31)24-20(29)16-11-14(22)6-9-17(16)30-3/h4-9,11-12H,10H2,1-3H3,(H,23,27)(H,25,28)(H2,24,26,29,31)