4-[2-[2-(4-bromanyl-2-methyl-phenoxy)ethanoylcarbamothioyl]hydrazinyl]-4-oxidanylidene-N-(phenylmethyl)butanamide

Systemtic Name: 4-[2-[2-(4-bromanyl-2-methyl-phenoxy)ethanoylcarbamothioyl]hydrazinyl]-4-oxidanylidene-N-(phenylmethyl)butanamide Openeye Name: N-benzyl-4-[2-[[2-(4-bromo-2-methyl-phenoxy)acetyl]carbamothioyl]hydrazino]-4-oxo-butanamide CAS Name: 4-[[[[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-4-oxo-N-(phenylmethyl)butanamide IUPAC Name: N-benzyl-4-[2-[[2-(4-bromo-2-methylphenoxy)acetyl]carbamothioyl]hydrazinyl]-4-oxobutanamide Traditional Name: N-benzyl-4-[N'-[[2-(4-bromo-2-methyl-phenoxy)acetyl]thiocarbamoyl]hydrazino]-4-keto-butyramide Formula: C21H23BrN4O4S MolecularWeight: 507.40072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCC(=O)NC(=S)NNC(=O)CCC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCC(=O)NC(=S)NNC(=O)CCC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C21H23BrN4O4S/c1-14-11-16(22)7-8-17(14)30-13-20(29)24-21(31)26-25-19(28)10-9-18(27)23-12-15-5-3-2-4-6-15/h2-8,11H,9-10,12-13H2,1H3,(H,23,27)(H,25,28)(H2,24,26,29,31)