3-bromanyl-4-methoxy-N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-methoxy-N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]benzamide Openeye Name: 3-bromo-4-methoxy-N-[[2-(2-naphthyloxy)propanoylamino]carbamothioyl]benzamide CAS Name: 3-bromo-4-methoxy-N-[[[2-(2-naphthalenyloxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-methoxy-N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]benzamide Traditional Name: 3-bromo-4-methoxy-N-[[2-(2-naphthoxy)propanoylamino]thiocarbamoyl]benzamide Formula: C22H20BrN3O4S MolecularWeight: 502.3809

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NC(=O)C1=CC(=C(C=C1)OC)Br)OC2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C(=O)NNC(=S)NC(=O)C1=CC(=C(C=C1)OC)Br)OC2=CC3=CC=CC=C3C=C2

InChI

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