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

Systemtic Name: N-(2,5-dimethylphenyl)-4-oxidanylidene-4-[2-(2-phenoxyethanoylcarbamothioyl)hydrazinyl]butanamide Openeye Name: N-(2,5-dimethylphenyl)-4-oxo-4-[2-[(2-phenoxyacetyl)carbamothioyl]hydrazino]butanamide CAS Name: N-(2,5-dimethylphenyl)-4-oxo-4-[[[(1-oxo-2-phenoxyethyl)amino]-sulfanylidenemethyl]hydrazo]butanamide IUPAC Name: N-(2,5-dimethylphenyl)-4-oxo-4-[2-[(2-phenoxyacetyl)carbamothioyl]hydrazinyl]butanamide Traditional Name: N-(2,5-dimethylphenyl)-4-keto-4-[N'-[(2-phenoxyacetyl)thiocarbamoyl]hydrazino]butyramide Formula: C21H24N4O4S MolecularWeight: 428.50466

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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=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=O)CCC(=O)NNC(=S)NC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C21H24N4O4S/c1-14-8-9-15(2)17(12-14)22-18(26)10-11-19(27)24-25-21(30)23-20(28)13-29-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,22,26)(H,24,27)(H2,23,25,28,30)