N-[[(3-bromanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-2-naphthalen-1-yloxy-ethanamide

Systemtic Name: N-[[(3-bromanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]-2-naphthalen-1-yloxy-ethanamide Openeye Name: N-[[(3-bromo-4-methoxy-benzoyl)amino]carbamothioyl]-2-(1-naphthyloxy)acetamide CAS Name: N-[[[(3-bromo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-(1-naphthalenyloxy)acetamide IUPAC Name: N-[[(3-bromo-4-methoxybenzoyl)amino]carbamothioyl]-2-naphthalen-1-yloxyacetamide Traditional Name: N-[[(3-bromo-4-methoxy-benzoyl)amino]thiocarbamoyl]-2-(1-naphthoxy)acetamide Formula: C21H18BrN3O4S MolecularWeight: 488.35432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)COC2=CC=CC3=CC=CC=C32)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)COC2=CC=CC3=CC=CC=C32)Br

InChI

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