3-bromanyl-4-ethoxy-N-[(2-naphthalen-2-yloxyethanoylamino)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-ethoxy-N-[(2-naphthalen-2-yloxyethanoylamino)carbamothioyl]benzamide Openeye Name: 3-bromo-4-ethoxy-N-[[[2-(2-naphthyloxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-ethoxy-N-[[[2-(2-naphthalenyloxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-ethoxy-N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-ethoxy-N-[[[2-(2-naphthoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C22H20BrN3O4S MolecularWeight: 502.3809

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC3=CC=CC=C3C=C2)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC3=CC=CC=C3C=C2)Br

InChI

InChI=1S/C22H20BrN3O4S/c1-2-29-19-10-8-16(12-18(19)23)21(28)24-22(31)26-25-20(27)13-30-17-9-7-14-5-3-4-6-15(14)11-17/h3-12H,2,13H2,1H3,(H,25,27)(H2,24,26,28,31)