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

Systemtic Name: 5-bromanyl-2-methoxy-N-[[[4-(2-methylpropanoylamino)phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-N-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-N-[[[[4-[(2-methyl-1-oxopropyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-N-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioyl]benzamide Traditional Name: 5-bromo-N-[[[4-(isobutyrylamino)benzoyl]amino]thiocarbamoyl]-2-methoxy-benzamide Formula: C20H21BrN4O4S MolecularWeight: 493.37414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN4O4S/c1-11(2)17(26)22-14-7-4-12(5-8-14)18(27)24-25-20(30)23-19(28)15-10-13(21)6-9-16(15)29-3/h4-11H,1-3H3,(H,22,26)(H,24,27)(H2,23,25,28,30)