N-[2-[[[3-(pyrimidin-2-ylamino)phenyl]carbonylamino]carbamoyl]phenyl]thiophene-2-sulfonamide

Systemtic Name: N-[2-[[[3-(pyrimidin-2-ylamino)phenyl]carbonylamino]carbamoyl]phenyl]thiophene-2-sulfonamide Openeye Name: N-[2-[[[3-(pyrimidin-2-ylamino)benzoyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide CAS Name: N-[2-[oxo-[[oxo-[3-(2-pyrimidinylamino)phenyl]methyl]hydrazo]methyl]phenyl]-2-thiophenesulfonamide IUPAC Name: N-[2-[[[3-(pyrimidin-2-ylamino)benzoyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide Traditional Name: N-[2-[[[3-(2-pyrimidylamino)benzoyl]amino]carbamoyl]phenyl]thiophene-2-sulfonamide Formula: C22H18N6O4S2 MolecularWeight: 494.54612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC(=CC=C2)NC3=NC=CC=N3)NS(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NNC(=O)C2=CC(=CC=C2)NC3=NC=CC=N3)NS(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H18N6O4S2/c29-20(15-6-3-7-16(14-15)25-22-23-11-5-12-24-22)26-27-21(30)17-8-1-2-9-18(17)28-34(31,32)19-10-4-13-33-19/h1-14,28H,(H,26,29)(H,27,30)(H,23,24,25)