N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]-2-methyl-phenyl]isoquinoline-3-carboxamide

Systemtic Name: N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]-2-methyl-phenyl]isoquinoline-3-carboxamide Openeye Name: N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]-2-methyl-phenyl]isoquinoline-3-carboxamide CAS Name: N-[4-[[[1-(4-fluorophenyl)ethylamino]-sulfanylidenemethyl]amino]-2-methylphenyl]-3-isoquinolinecarboxamide IUPAC Name: N-[4-[1-(4-fluorophenyl)ethylcarbamothioylamino]-2-methylphenyl]isoquinoline-3-carboxamide Traditional Name: N-[4-[1-(4-fluorophenyl)ethylthiocarbamoylamino]-2-methyl-phenyl]isoquinoline-3-carboxamide Formula: C26H23FN4OS MolecularWeight: 458.550423

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=S)NC(C)C2=CC=C(C=C2)F)NC(=O)C3=CC4=CC=CC=C4C=N3

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=S)NC(C)C2=CC=C(C=C2)F)NC(=O)C3=CC4=CC=CC=C4C=N3

InChI

InChI=1S/C26H23FN4OS/c1-16-13-22(30-26(33)29-17(2)18-7-9-21(27)10-8-18)11-12-23(16)31-25(32)24-14-19-5-3-4-6-20(19)15-28-24/h3-15,17H,1-2H3,(H,31,32)(H2,29,30,33)