ethyl 4-[2-[2-[(5-bromanyl-2-methoxy-phenyl)carbonylcarbamothioyl]hydrazinyl]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: ethyl 4-[2-[2-[(5-bromanyl-2-methoxy-phenyl)carbonylcarbamothioyl]hydrazinyl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: ethyl 4-[2-[2-[(5-bromo-2-methoxy-benzoyl)carbamothioyl]hydrazino]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[[[[(5-bromo-2-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]hydrazo]-2-oxoethoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-[(5-bromo-2-methoxybenzoyl)carbamothioyl]hydrazinyl]-2-oxoethoxy]benzoate Traditional Name: 4-[2-[N'-[(5-bromo-2-methoxy-benzoyl)thiocarbamoyl]hydrazino]-2-keto-ethoxy]benzoic acid ethyl ester Formula: C20H20BrN3O6S MolecularWeight: 510.3583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C20H20BrN3O6S/c1-3-29-19(27)12-4-7-14(8-5-12)30-11-17(25)23-24-20(31)22-18(26)15-10-13(21)6-9-16(15)28-2/h4-10H,3,11H2,1-2H3,(H,23,25)(H2,22,24,26,31)