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

Systemtic Name: N-[4-[[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]-3-methyl-benzamide Openeye Name: N-[4-[[[2-(2-bromo-4-ethyl-phenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]-3-methyl-benzamide CAS Name: N-[4-[[[[[2-(2-bromo-4-ethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-3-methylbenzamide IUPAC Name: N-[4-[[[2-(2-bromo-4-ethylphenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]-3-methylbenzamide Traditional Name: N-[4-[[[2-(2-bromo-4-ethyl-phenoxy)acetyl]thiocarbamoylamino]carbamoyl]phenyl]-3-methyl-benzamide Formula: C26H25BrN4O4S MolecularWeight: 569.4701

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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

CCC1=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/C26H25BrN4O4S/c1-3-17-7-12-22(21(27)14-17)35-15-23(32)29-26(36)31-30-25(34)18-8-10-20(11-9-18)28-24(33)19-6-4-5-16(2)13-19/h4-14H,3,15H2,1-2H3,(H,28,33)(H,30,34)(H2,29,31,32,36)