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

Systemtic Name: 4-[2-[2-(4-bromanylphenoxy)ethanoylcarbamothioyl]hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxidanylidene-butanamide Openeye Name: 4-[2-[[2-(4-bromophenoxy)acetyl]carbamothioyl]hydrazino]-N-(3,4-dimethylphenyl)-4-oxo-butanamide CAS Name: 4-[[[[2-(4-bromophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-N-(3,4-dimethylphenyl)-4-oxobutanamide IUPAC Name: 4-[2-[[2-(4-bromophenoxy)acetyl]carbamothioyl]hydrazinyl]-N-(3,4-dimethylphenyl)-4-oxobutanamide Traditional Name: 4-[N'-[[2-(4-bromophenoxy)acetyl]thiocarbamoyl]hydrazino]-N-(3,4-dimethylphenyl)-4-keto-butyramide Formula: C21H23BrN4O4S MolecularWeight: 507.40072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN4O4S/c1-13-3-6-16(11-14(13)2)23-18(27)9-10-19(28)25-26-21(31)24-20(29)12-30-17-7-4-15(22)5-8-17/h3-8,11H,9-10,12H2,1-2H3,(H,23,27)(H,25,28)(H2,24,26,29,31)