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

Systemtic Name: N-[[(4-acetamidophenyl)carbonylamino]carbamothioyl]-2-(4-bromanyl-2-chloranyl-phenoxy)ethanamide Openeye Name: N-[[(4-acetamidobenzoyl)amino]carbamothioyl]-2-(4-bromo-2-chloro-phenoxy)acetamide CAS Name: N-[[[(4-acetamidophenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-(4-bromo-2-chlorophenoxy)acetamide IUPAC Name: N-[[(4-acetamidobenzoyl)amino]carbamothioyl]-2-(4-bromo-2-chlorophenoxy)acetamide Traditional Name: N-[[(4-acetamidobenzoyl)amino]thiocarbamoyl]-2-(4-bromo-2-chloro-phenoxy)acetamide Formula: C18H16BrClN4O4S MolecularWeight: 499.76604

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrClN4O4S/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)