2-fluoranyl-N-[4-(1-isoquinolin-3-ylethylsulfanylcarbamoylamino)phenyl]benzamide

Systemtic Name: 2-fluoranyl-N-[4-(1-isoquinolin-3-ylethylsulfanylcarbamoylamino)phenyl]benzamide Openeye Name: 2-fluoro-N-[4-[1-(3-isoquinolyl)ethylsulfanylcarbamoylamino]phenyl]benzamide CAS Name: 2-fluoro-N-[4-[[[[1-(3-isoquinolinyl)ethylthio]amino]-oxomethyl]amino]phenyl]benzamide IUPAC Name: 2-fluoro-N-[4-(1-isoquinolin-3-ylethylsulfanylcarbamoylamino)phenyl]benzamide Traditional Name: 2-fluoro-N-[4-[[1-(3-isoquinolyl)ethylthio]carbamoylamino]phenyl]benzamide Formula: C25H21FN4O2S MolecularWeight: 460.523243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=CC=CC=C2C=N1)SNC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

CC(C1=CC2=CC=CC=C2C=N1)SNC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C25H21FN4O2S/c1-16(23-14-17-6-2-3-7-18(17)15-27-23)33-30-25(32)29-20-12-10-19(11-13-20)28-24(31)21-8-4-5-9-22(21)26/h2-16H,1H3,(H,28,31)(H2,29,30,32)