N-(2-chlorophenyl)-4-[2-[2-(2-methylphenoxy)ethanoylcarbamothioyl]hydrazinyl]-4-oxidanylidene-butanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(=O)NC(=S)NNC(=O)CCC(=O)NC2=CC=CC=C2Cl

Isomeric SMILES

CC1=CC=CC=C1OCC(=O)NC(=S)NNC(=O)CCC(=O)NC2=CC=CC=C2Cl

InChI

InChI=1S/C20H21ClN4O4S/c1-13-6-2-5-9-16(13)29-12-19(28)23-20(30)25-24-18(27)11-10-17(26)22-15-8-4-3-7-14(15)21/h2-9H,10-12H2,1H3,(H,22,26)(H,24,27)(H2,23,25,28,30)