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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)NNC(=S)NC(=O)COC2=CC=CC=C2C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)NNC(=S)NC(=O)COC2=CC=CC=C2C

InChI

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