N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluoranyl-phenyl]carbamothioyl]-2-phenoxy-ethanamide

Systemtic Name: N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluoranyl-phenyl]carbamothioyl]-2-phenoxy-ethanamide Openeye Name: N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluoro-phenyl]carbamothioyl]-2-phenoxy-acetamide CAS Name: N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluoroanilino]-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluorophenyl]carbamothioyl]-2-phenoxyacetamide Traditional Name: N-[[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-fluoro-phenyl]thiocarbamoyl]-2-phenoxy-acetamide Formula: C24H22FN3O2S MolecularWeight: 435.513783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=S)NC(=O)COC4=CC=CC=C4)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)NC(=S)NC(=O)COC4=CC=CC=C4)F

InChI

InChI=1S/C24H22FN3O2S/c25-21-14-19(26-24(31)27-23(29)16-30-20-8-2-1-3-9-20)10-11-22(21)28-13-12-17-6-4-5-7-18(17)15-28/h1-11,14H,12-13,15-16H2,(H2,26,27,29,31)