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

Systemtic Name: 5-bromanyl-N-[[[4-(2-methylpropanoylamino)phenyl]carbonylamino]carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[[[[4-[(2-methyl-1-oxopropyl)amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[[[4-(2-methylpropanoylamino)benzoyl]amino]carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-N-[[[4-(isobutyrylamino)benzoyl]amino]thiocarbamoyl]-2-propoxy-benzamide Formula: C22H25BrN4O4S MolecularWeight: 521.4273

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C(C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C(C)C

InChI

InChI=1S/C22H25BrN4O4S/c1-4-11-31-18-10-7-15(23)12-17(18)21(30)25-22(32)27-26-20(29)14-5-8-16(9-6-14)24-19(28)13(2)3/h5-10,12-13H,4,11H2,1-3H3,(H,24,28)(H,26,29)(H2,25,27,30,32)