2-[1,6-bis(bromanyl)naphthalen-2-yl]oxy-N-[[(3-bromanyl-4-methyl-phenyl)carbonylamino]carbamothioyl]ethanamide

Systemtic Name: 2-[1,6-bis(bromanyl)naphthalen-2-yl]oxy-N-[[(3-bromanyl-4-methyl-phenyl)carbonylamino]carbamothioyl]ethanamide Openeye Name: N-[[(3-bromo-4-methyl-benzoyl)amino]carbamothioyl]-2-[(1,6-dibromo-2-naphthyl)oxy]acetamide CAS Name: N-[[[(3-bromo-4-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-[(1,6-dibromo-2-naphthalenyl)oxy]acetamide IUPAC Name: N-[[(3-bromo-4-methylbenzoyl)amino]carbamothioyl]-2-(1,6-dibromonaphthalen-2-yl)oxyacetamide Traditional Name: N-[[(3-bromo-4-methyl-benzoyl)amino]thiocarbamoyl]-2-(1,6-dibromo-2-naphthoxy)acetamide Formula: C21H16Br3N3O3S MolecularWeight: 630.14704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)COC2=C(C3=C(C=C2)C=C(C=C3)Br)Br)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)COC2=C(C3=C(C=C2)C=C(C=C3)Br)Br)Br

InChI

InChI=1S/C21H16Br3N3O3S/c1-11-2-3-13(9-16(11)23)20(29)26-27-21(31)25-18(28)10-30-17-7-4-12-8-14(22)5-6-15(12)19(17)24/h2-9H,10H2,1H3,(H,26,29)(H2,25,27,28,31)