4-[2-[2-(4-chloranylphenoxy)ethanoylcarbamothioyl]hydrazinyl]-4-oxidanylidene-N-(phenylmethyl)butanamide

Systemtic Name: 4-[2-[2-(4-chloranylphenoxy)ethanoylcarbamothioyl]hydrazinyl]-4-oxidanylidene-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-[2-[[2-(4-chlorophenoxy)acetyl]carbamothioyl]hydrazino]-4-oxo-butanamide CAS Name: 4-[[[[2-(4-chlorophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-4-oxo-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-[2-[[2-(4-chlorophenoxy)acetyl]carbamothioyl]hydrazinyl]-4-oxobutanamide Traditional Name: N-benzyl-4-[N'-[[2-(4-chlorophenoxy)acetyl]thiocarbamoyl]hydrazino]-4-keto-butyramide Formula: C20H21ClN4O4S MolecularWeight: 448.92314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN4O4S/c21-15-6-8-16(9-7-15)29-13-19(28)23-20(30)25-24-18(27)11-10-17(26)22-12-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,22,26)(H,24,27)(H2,23,25,28,30)