4-(4-fluorophenyl)sulfanyl-N-isoquinolin-5-yl-N-methyl-butanamide

Systemtic Name: 4-(4-fluorophenyl)sulfanyl-N-isoquinolin-5-yl-N-methyl-butanamide Openeye Name: 4-(4-fluorophenyl)sulfanyl-N-(5-isoquinolyl)-N-methyl-butanamide CAS Name: 4-[(4-fluorophenyl)thio]-N-(5-isoquinolinyl)-N-methylbutanamide IUPAC Name: 4-(4-fluorophenyl)sulfanyl-N-isoquinolin-5-yl-N-methylbutanamide Traditional Name: 4-[(4-fluorophenyl)thio]-N-(5-isoquinolyl)-N-methyl-butyramide Formula: C20H19FN2OS MolecularWeight: 354.441063

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC2=C1C=CN=C2)C(=O)CCCSC3=CC=C(C=C3)F

Isomeric SMILES

CN(C1=CC=CC2=C1C=CN=C2)C(=O)CCCSC3=CC=C(C=C3)F

InChI

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