N-[4-[3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanoylamino]phenyl]sulfonylbenzamide

Systemtic Name: N-[4-[3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanoylamino]phenyl]sulfonylbenzamide Openeye Name: N-[4-[3-(2-thioxo-1,3-benzoxazol-3-yl)propanoylamino]phenyl]sulfonylbenzamide CAS Name: N-[4-[[1-oxo-3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propyl]amino]phenyl]sulfonylbenzamide IUPAC Name: N-[4-[3-(2-sulfanylidene-1,3-benzoxazol-3-yl)propanoylamino]phenyl]sulfonylbenzamide Traditional Name: N-[4-[3-(2-thioxo-1,3-benzoxazol-3-yl)propanoylamino]phenyl]sulfonylbenzamide Formula: C23H19N3O5S2 MolecularWeight: 481.54406

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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(=O)CCN3C4=CC=CC=C4OC3=S

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)CCN3C4=CC=CC=C4OC3=S

InChI

InChI=1S/C23H19N3O5S2/c27-21(14-15-26-19-8-4-5-9-20(19)31-23(26)32)24-17-10-12-18(13-11-17)33(29,30)25-22(28)16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,27)(H,25,28)