N-[4-[[2-(4-bromanylphenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]-2-methyl-benzamide

Systemtic Name: N-[4-[[2-(4-bromanylphenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]-2-methyl-benzamide Openeye Name: N-[4-[[[2-(4-bromophenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]-2-methyl-benzamide CAS Name: N-[4-[[[[[2-(4-bromophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-2-methylbenzamide IUPAC Name: N-[4-[[[2-(4-bromophenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]-2-methylbenzamide Traditional Name: N-[4-[[[2-(4-bromophenoxy)acetyl]thiocarbamoylamino]carbamoyl]phenyl]-2-methyl-benzamide Formula: C24H21BrN4O4S MolecularWeight: 541.41694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)COC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)COC3=CC=C(C=C3)Br

InChI

InChI=1S/C24H21BrN4O4S/c1-15-4-2-3-5-20(15)23(32)26-18-10-6-16(7-11-18)22(31)28-29-24(34)27-21(30)14-33-19-12-8-17(25)9-13-19/h2-13H,14H2,1H3,(H,26,32)(H,28,31)(H2,27,29,30,34)