N-[4-[(4-bromanyl-2-chloranyl-phenyl)carbamothioylamino]phenyl]sulfonylbenzamide

Systemtic Name: N-[4-[(4-bromanyl-2-chloranyl-phenyl)carbamothioylamino]phenyl]sulfonylbenzamide Openeye Name: N-[4-[(4-bromo-2-chloro-phenyl)carbamothioylamino]phenyl]sulfonylbenzamide CAS Name: N-[4-[[(4-bromo-2-chloroanilino)-sulfanylidenemethyl]amino]phenyl]sulfonylbenzamide IUPAC Name: N-[4-[(4-bromo-2-chlorophenyl)carbamothioylamino]phenyl]sulfonylbenzamide Traditional Name: N-[4-[(4-bromo-2-chloro-phenyl)thiocarbamoylamino]phenyl]sulfonylbenzamide Formula: C20H15BrClN3O3S2 MolecularWeight: 524.8384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C20H15BrClN3O3S2/c21-14-6-11-18(17(22)12-14)24-20(29)23-15-7-9-16(10-8-15)30(27,28)25-19(26)13-4-2-1-3-5-13/h1-12H,(H,25,26)(H2,23,24,29)