4-(4-fluorophenyl)sulfanyl-N-isoquinolin-1-yl-N-methyl-butanamide

Systemtic Name: 4-(4-fluorophenyl)sulfanyl-N-isoquinolin-1-yl-N-methyl-butanamide Openeye Name: 4-(4-fluorophenyl)sulfanyl-N-(1-isoquinolyl)-N-methyl-butanamide CAS Name: 4-[(4-fluorophenyl)thio]-N-(1-isoquinolinyl)-N-methylbutanamide IUPAC Name: 4-(4-fluorophenyl)sulfanyl-N-isoquinolin-1-yl-N-methylbutanamide Traditional Name: 4-[(4-fluorophenyl)thio]-N-(1-isoquinolyl)-N-methyl-butyramide Formula: C20H19FN2OS MolecularWeight: 354.441063

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=NC=CC2=CC=CC=C21)C(=O)CCCSC3=CC=C(C=C3)F

Isomeric SMILES

CN(C1=NC=CC2=CC=CC=C21)C(=O)CCCSC3=CC=C(C=C3)F

InChI

InChI=1S/C20H19FN2OS/c1-23(20-18-6-3-2-5-15(18)12-13-22-20)19(24)7-4-14-25-17-10-8-16(21)9-11-17/h2-3,5-6,8-13H,4,7,14H2,1H3