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

Systemtic Name: N-(2,5-dimethylphenyl)-4-oxidanylidene-4-[2-(3-phenylpropanoylcarbamothioyl)hydrazinyl]butanamide Openeye Name: N-(2,5-dimethylphenyl)-4-oxo-4-[2-(3-phenylpropanoylcarbamothioyl)hydrazino]butanamide CAS Name: N-(2,5-dimethylphenyl)-4-oxo-4-[[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]hydrazo]butanamide IUPAC Name: N-(2,5-dimethylphenyl)-4-oxo-4-[2-(3-phenylpropanoylcarbamothioyl)hydrazinyl]butanamide Traditional Name: N-(2,5-dimethylphenyl)-4-[N'-(hydrocinnamoylthiocarbamoyl)hydrazino]-4-keto-butyramide Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)NNC(=S)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C22H26N4O3S/c1-15-8-9-16(2)18(14-15)23-19(27)12-13-21(29)25-26-22(30)24-20(28)11-10-17-6-4-3-5-7-17/h3-9,14H,10-13H2,1-2H3,(H,23,27)(H,25,29)(H2,24,26,28,30)