2-(4-bromanyl-2-methyl-phenoxy)-N-[(2-naphthalen-1-yloxyethanoylamino)carbamothioyl]ethanamide

Systemtic Name: 2-(4-bromanyl-2-methyl-phenoxy)-N-[(2-naphthalen-1-yloxyethanoylamino)carbamothioyl]ethanamide Openeye Name: 2-(4-bromo-2-methyl-phenoxy)-N-[[[2-(1-naphthyloxy)acetyl]amino]carbamothioyl]acetamide CAS Name: 2-(4-bromo-2-methylphenoxy)-N-[[[2-(1-naphthalenyloxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]acetamide IUPAC Name: 2-(4-bromo-2-methylphenoxy)-N-[[(2-naphthalen-1-yloxyacetyl)amino]carbamothioyl]acetamide Traditional Name: 2-(4-bromo-2-methyl-phenoxy)-N-[[[2-(1-naphthoxy)acetyl]amino]thiocarbamoyl]acetamide Formula: C22H20BrN3O4S MolecularWeight: 502.3809

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCC(=O)NC(=S)NNC(=O)COC2=CC=CC3=CC=CC=C32

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCC(=O)NC(=S)NNC(=O)COC2=CC=CC3=CC=CC=C32

InChI

InChI=1S/C22H20BrN3O4S/c1-14-11-16(23)9-10-18(14)29-12-20(27)24-22(31)26-25-21(28)13-30-19-8-4-6-15-5-2-3-7-17(15)19/h2-11H,12-13H2,1H3,(H,25,28)(H2,24,26,27,31)