N-(2,5-dimethylphenyl)-4-[2-[2-(3-methylphenoxy)ethanoylcarbamothioyl]hydrazinyl]-4-oxidanylidene-butanamide

Systemtic Name: N-(2,5-dimethylphenyl)-4-[2-[2-(3-methylphenoxy)ethanoylcarbamothioyl]hydrazinyl]-4-oxidanylidene-butanamide Openeye Name: N-(2,5-dimethylphenyl)-4-[2-[[2-(3-methylphenoxy)acetyl]carbamothioyl]hydrazino]-4-oxo-butanamide CAS Name: N-(2,5-dimethylphenyl)-4-[[[[2-(3-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-4-oxobutanamide IUPAC Name: N-(2,5-dimethylphenyl)-4-[2-[[2-(3-methylphenoxy)acetyl]carbamothioyl]hydrazinyl]-4-oxobutanamide Traditional Name: N-(2,5-dimethylphenyl)-4-keto-4-[N'-[[2-(3-methylphenoxy)acetyl]thiocarbamoyl]hydrazino]butyramide Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NC(=S)NNC(=O)CCC(=O)NC2=C(C=CC(=C2)C)C

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NC(=S)NNC(=O)CCC(=O)NC2=C(C=CC(=C2)C)C

InChI

InChI=1S/C22H26N4O4S/c1-14-5-4-6-17(11-14)30-13-21(29)24-22(31)26-25-20(28)10-9-19(27)23-18-12-15(2)7-8-16(18)3/h4-8,11-12H,9-10,13H2,1-3H3,(H,23,27)(H,25,28)(H2,24,26,29,31)