N-[4-[[2-(4-bromanylphenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]-3-methyl-benzamide

Systemtic Name: N-[4-[[2-(4-bromanylphenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]-3-methyl-benzamide Openeye Name: N-[4-[[[2-(4-bromophenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]-3-methyl-benzamide CAS Name: N-[4-[[[[[2-(4-bromophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-3-methylbenzamide IUPAC Name: N-[4-[[[2-(4-bromophenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]-3-methylbenzamide Traditional Name: N-[4-[[[2-(4-bromophenoxy)acetyl]thiocarbamoylamino]carbamoyl]phenyl]-3-methyl-benzamide Formula: C24H21BrN4O4S MolecularWeight: 541.41694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)COC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)COC3=CC=C(C=C3)Br

InChI

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