N-[[(4-acetamidophenyl)carbonylamino]carbamothioyl]-2-[2,4-bis(bromanyl)phenoxy]ethanamide

Systemtic Name: N-[[(4-acetamidophenyl)carbonylamino]carbamothioyl]-2-[2,4-bis(bromanyl)phenoxy]ethanamide Openeye Name: N-[[(4-acetamidobenzoyl)amino]carbamothioyl]-2-(2,4-dibromophenoxy)acetamide CAS Name: N-[[[(4-acetamidophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-(2,4-dibromophenoxy)acetamide IUPAC Name: N-[[(4-acetamidobenzoyl)amino]carbamothioyl]-2-(2,4-dibromophenoxy)acetamide Traditional Name: N-[[(4-acetamidobenzoyl)amino]thiocarbamoyl]-2-(2,4-dibromophenoxy)acetamide Formula: C18H16Br2N4O4S MolecularWeight: 544.21704

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)COC2=C(C=C(C=C2)Br)Br

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)COC2=C(C=C(C=C2)Br)Br

InChI

InChI=1S/C18H16Br2N4O4S/c1-10(25)21-13-5-2-11(3-6-13)17(27)23-24-18(29)22-16(26)9-28-15-7-4-12(19)8-14(15)20/h2-8H,9H2,1H3,(H,21,25)(H,23,27)(H2,22,24,26,29)