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

Systemtic Name: N-[4-[[2-(2-bromanyl-4-methyl-phenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]-3-methyl-benzamide Openeye Name: N-[4-[[[2-(2-bromo-4-methyl-phenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]-3-methyl-benzamide CAS Name: N-[4-[[[[[2-(2-bromo-4-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-3-methylbenzamide IUPAC Name: N-[4-[[[2-(2-bromo-4-methylphenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]-3-methylbenzamide Traditional Name: N-[4-[[[2-(2-bromo-4-methyl-phenoxy)acetyl]thiocarbamoylamino]carbamoyl]phenyl]-3-methyl-benzamide Formula: C25H23BrN4O4S MolecularWeight: 555.44352

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23BrN4O4S/c1-15-4-3-5-18(12-15)23(32)27-19-9-7-17(8-10-19)24(33)29-30-25(35)28-22(31)14-34-21-11-6-16(2)13-20(21)26/h3-13H,14H2,1-2H3,(H,27,32)(H,29,33)(H2,28,30,31,35)