N-[4-[1-(2-fluorophenyl)ethylcarbamothioylamino]phenyl]isoquinoline-1-carboxamide

Systemtic Name: N-[4-[1-(2-fluorophenyl)ethylcarbamothioylamino]phenyl]isoquinoline-1-carboxamide Openeye Name: N-[4-[1-(2-fluorophenyl)ethylcarbamothioylamino]phenyl]isoquinoline-1-carboxamide CAS Name: N-[4-[[[1-(2-fluorophenyl)ethylamino]-sulfanylidenemethyl]amino]phenyl]-1-isoquinolinecarboxamide IUPAC Name: N-[4-[1-(2-fluorophenyl)ethylcarbamothioylamino]phenyl]isoquinoline-1-carboxamide Traditional Name: N-[4-[1-(2-fluorophenyl)ethylthiocarbamoylamino]phenyl]isoquinoline-1-carboxamide Formula: C25H21FN4OS MolecularWeight: 444.523843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1F)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=NC=CC4=CC=CC=C43

Isomeric SMILES

CC(C1=CC=CC=C1F)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C25H21FN4OS/c1-16(20-7-4-5-9-22(20)26)28-25(32)30-19-12-10-18(11-13-19)29-24(31)23-21-8-3-2-6-17(21)14-15-27-23/h2-16H,1H3,(H,29,31)(H2,28,30,32)