3-bromanyl-N-[2-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]hydrazinyl]-2-oxidanylidene-ethyl]benzamide

Systemtic Name: 3-bromanyl-N-[2-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]hydrazinyl]-2-oxidanylidene-ethyl]benzamide Openeye Name: 3-bromo-N-[2-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]hydrazino]-2-oxo-ethyl]benzamide CAS Name: 3-bromo-N-[2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-sulfanylidenemethyl]hydrazo]-2-oxoethyl]benzamide IUPAC Name: 3-bromo-N-[2-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamothioyl]hydrazinyl]-2-oxoethyl]benzamide Traditional Name: 3-bromo-N-[2-[N'-(homoveratrylthiocarbamoyl)hydrazino]-2-keto-ethyl]benzamide Formula: C20H23BrN4O4S MolecularWeight: 495.39002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)CNC(=O)C2=CC(=CC=C2)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=S)NNC(=O)CNC(=O)C2=CC(=CC=C2)Br)OC

InChI

InChI=1S/C20H23BrN4O4S/c1-28-16-7-6-13(10-17(16)29-2)8-9-22-20(30)25-24-18(26)12-23-19(27)14-4-3-5-15(21)11-14/h3-7,10-11H,8-9,12H2,1-2H3,(H,23,27)(H,24,26)(H2,22,25,30)