N-(2-chlorophenyl)-4-[2-[2-(3-methylphenoxy)ethanoylcarbamothioyl]hydrazinyl]-4-oxidanylidene-butanamide

Systemtic Name: N-(2-chlorophenyl)-4-[2-[2-(3-methylphenoxy)ethanoylcarbamothioyl]hydrazinyl]-4-oxidanylidene-butanamide Openeye Name: N-(2-chlorophenyl)-4-[2-[[2-(3-methylphenoxy)acetyl]carbamothioyl]hydrazino]-4-oxo-butanamide CAS Name: N-(2-chlorophenyl)-4-[[[[2-(3-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-4-oxobutanamide IUPAC Name: N-(2-chlorophenyl)-4-[2-[[2-(3-methylphenoxy)acetyl]carbamothioyl]hydrazinyl]-4-oxobutanamide Traditional Name: N-(2-chlorophenyl)-4-keto-4-[N'-[[2-(3-methylphenoxy)acetyl]thiocarbamoyl]hydrazino]butyramide Formula: C20H21ClN4O4S MolecularWeight: 448.92314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NC(=S)NNC(=O)CCC(=O)NC2=CC=CC=C2Cl

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NC(=S)NNC(=O)CCC(=O)NC2=CC=CC=C2Cl

InChI

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