1-(5-bromanylthiophen-2-yl)sulfonyl-3-[4-[7-fluoranyl-6-(methylamino)-1-oxidanylidene-isoquinolin-2-yl]phenyl]urea

Systemtic Name: 1-(5-bromanylthiophen-2-yl)sulfonyl-3-[4-[7-fluoranyl-6-(methylamino)-1-oxidanylidene-isoquinolin-2-yl]phenyl]urea Openeye Name: 1-[(5-bromo-2-thienyl)sulfonyl]-3-[4-[7-fluoro-6-(methylamino)-1-oxo-2-isoquinolyl]phenyl]urea CAS Name: 1-[(5-bromo-2-thiophenyl)sulfonyl]-3-[4-[7-fluoro-6-(methylamino)-1-oxo-2-isoquinolinyl]phenyl]urea IUPAC Name: 1-(5-bromothiophen-2-yl)sulfonyl-3-[4-[7-fluoro-6-(methylamino)-1-oxoisoquinolin-2-yl]phenyl]urea Traditional Name: 1-[(5-bromo-2-thienyl)sulfonyl]-3-[4-[7-fluoro-1-keto-6-(methylamino)-2-isoquinolyl]phenyl]urea Formula: C21H16BrFN4O4S2 MolecularWeight: 551.408543

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C2C(=C1)C=CN(C2=O)C3=CC=C(C=C3)NC(=O)NS(=O)(=O)C4=CC=C(S4)Br)F

Isomeric SMILES

CNC1=C(C=C2C(=C1)C=CN(C2=O)C3=CC=C(C=C3)NC(=O)NS(=O)(=O)C4=CC=C(S4)Br)F

InChI

InChI=1S/C21H16BrFN4O4S2/c1-24-17-10-12-8-9-27(20(28)15(12)11-16(17)23)14-4-2-13(3-5-14)25-21(29)26-33(30,31)19-7-6-18(22)32-19/h2-11,24H,1H3,(H2,25,26,29)