N-[4-[[2-(4-bromanyl-2-chloranyl-phenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]butanamide

Systemtic Name: N-[4-[[2-(4-bromanyl-2-chloranyl-phenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]butanamide Openeye Name: N-[4-[[[2-(4-bromo-2-chloro-phenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]butanamide CAS Name: N-[4-[[[[[2-(4-bromo-2-chlorophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]butanamide IUPAC Name: N-[4-[[[2-(4-bromo-2-chlorophenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]butanamide Traditional Name: N-[4-[[[2-(4-bromo-2-chloro-phenoxy)acetyl]thiocarbamoylamino]carbamoyl]phenyl]butyramide Formula: C20H20BrClN4O4S MolecularWeight: 527.8192

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)COC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)COC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C20H20BrClN4O4S/c1-2-3-17(27)23-14-7-4-12(5-8-14)19(29)25-26-20(31)24-18(28)11-30-16-9-6-13(21)10-15(16)22/h4-10H,2-3,11H2,1H3,(H,23,27)(H,25,29)(H2,24,26,28,31)