4-[2-[2-(4-bromanyl-2-chloranyl-phenoxy)ethanoylcarbamothioyl]hydrazinyl]-4-oxidanylidene-N-(phenylmethyl)butanamide

Systemtic Name: 4-[2-[2-(4-bromanyl-2-chloranyl-phenoxy)ethanoylcarbamothioyl]hydrazinyl]-4-oxidanylidene-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-[2-[[2-(4-bromo-2-chloro-phenoxy)acetyl]carbamothioyl]hydrazino]-4-oxo-butanamide CAS Name: 4-[[[[2-(4-bromo-2-chlorophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-4-oxo-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-[2-[[2-(4-bromo-2-chlorophenoxy)acetyl]carbamothioyl]hydrazinyl]-4-oxobutanamide Traditional Name: N-benzyl-4-[N'-[[2-(4-bromo-2-chloro-phenoxy)acetyl]thiocarbamoyl]hydrazino]-4-keto-butyramide Formula: C20H20BrClN4O4S MolecularWeight: 527.8192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CCC(=O)NNC(=S)NC(=O)COC2=C(C=C(C=C2)Br)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CCC(=O)NNC(=S)NC(=O)COC2=C(C=C(C=C2)Br)Cl

InChI

InChI=1S/C20H20BrClN4O4S/c21-14-6-7-16(15(22)10-14)30-12-19(29)24-20(31)26-25-18(28)9-8-17(27)23-11-13-4-2-1-3-5-13/h1-7,10H,8-9,11-12H2,(H,23,27)(H,25,28)(H2,24,26,29,31)