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

Systemtic Name: N-(2,5-dimethylphenyl)-4-[2-[2-(4-methoxyphenyl)ethanoylcarbamothioyl]hydrazinyl]-4-oxidanylidene-butanamide Openeye Name: N-(2,5-dimethylphenyl)-4-[2-[[2-(4-methoxyphenyl)acetyl]carbamothioyl]hydrazino]-4-oxo-butanamide CAS Name: N-(2,5-dimethylphenyl)-4-[[[[2-(4-methoxyphenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-4-oxobutanamide IUPAC Name: N-(2,5-dimethylphenyl)-4-[2-[[2-(4-methoxyphenyl)acetyl]carbamothioyl]hydrazinyl]-4-oxobutanamide Traditional Name: N-(2,5-dimethylphenyl)-4-keto-4-[N'-[[2-(4-methoxyphenyl)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)CC2=CC=C(C=C2)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)NNC(=S)NC(=O)CC2=CC=C(C=C2)OC

InChI

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