[4-[(4-bromanyl-2-chloranyl-phenyl)carbamothioylamino]phenyl]sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide

Systemtic Name: [4-[(4-bromanyl-2-chloranyl-phenyl)carbamothioylamino]phenyl]sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide Openeye Name: [4-[(4-bromo-2-chloro-phenyl)carbamothioylamino]phenyl]sulfonyl-(5-methylisoxazol-3-yl)azanide CAS Name: [4-[[(4-bromo-2-chloroanilino)-sulfanylidenemethyl]amino]phenyl]sulfonyl-(5-methyl-3-isoxazolyl)azanide IUPAC Name: [4-[(4-bromo-2-chlorophenyl)carbamothioylamino]phenyl]sulfonyl-(5-methyl-1,2-oxazol-3-yl)azanide Traditional Name: [4-[(4-bromo-2-chloro-phenyl)thiocarbamoylamino]phenyl]sulfonyl-(5-methylisoxazol-3-yl)azanide Formula: C17H13BrClN4O3S2- MolecularWeight: 500.79712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

CC1=CC(=NO1)[N-]S(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C17H14BrClN4O3S2/c1-10-8-16(22-26-10)23-28(24,25)13-5-3-12(4-6-13)20-17(27)21-15-7-2-11(18)9-14(15)19/h2-9H,1H3,(H3,20,21,22,23,27)/p-1