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

Systemtic Name: 3-bromanyl-4-methoxy-N-[(2-naphthalen-2-yloxyethanoylamino)carbamothioyl]benzamide Openeye Name: 3-bromo-4-methoxy-N-[[[2-(2-naphthyloxy)acetyl]amino]carbamothioyl]benzamide CAS Name: 3-bromo-4-methoxy-N-[[[2-(2-naphthalenyloxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-methoxy-N-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioyl]benzamide Traditional Name: 3-bromo-4-methoxy-N-[[[2-(2-naphthoxy)acetyl]amino]thiocarbamoyl]benzamide Formula: C21H18BrN3O4S MolecularWeight: 488.35432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC3=CC=CC=C3C=C2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)COC2=CC3=CC=CC=C3C=C2)Br

InChI

InChI=1S/C21H18BrN3O4S/c1-28-18-9-7-15(11-17(18)22)20(27)23-21(30)25-24-19(26)12-29-16-8-6-13-4-2-3-5-14(13)10-16/h2-11H,12H2,1H3,(H,24,26)(H2,23,25,27,30)