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

Systemtic Name: N-[[(3-bromanyl-4-methyl-phenyl)carbonylamino]carbamothioyl]-2-naphthalen-1-yl-ethanamide Openeye Name: N-[[(3-bromo-4-methyl-benzoyl)amino]carbamothioyl]-2-(1-naphthyl)acetamide CAS Name: N-[[[(3-bromo-4-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-(1-naphthalenyl)acetamide IUPAC Name: N-[[(3-bromo-4-methylbenzoyl)amino]carbamothioyl]-2-naphthalen-1-ylacetamide Traditional Name: N-[[(3-bromo-4-methyl-benzoyl)amino]thiocarbamoyl]-2-(1-naphthyl)acetamide Formula: C21H18BrN3O2S MolecularWeight: 456.35552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)CC2=CC=CC3=CC=CC=C32)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)CC2=CC=CC3=CC=CC=C32)Br

InChI

InChI=1S/C21H18BrN3O2S/c1-13-9-10-16(11-18(13)22)20(27)24-25-21(28)23-19(26)12-15-7-4-6-14-5-2-3-8-17(14)15/h2-11H,12H2,1H3,(H,24,27)(H2,23,25,26,28)