4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-fluoranyl-benzenecarbothioamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-fluoranyl-benzenecarbothioamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-fluoro-benzenecarbothioamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-fluorobenzenecarbothioamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-fluorobenzenecarbothioamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-fluoro-thiobenzamide Formula: C17H17FN2S MolecularWeight: 300.393683

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=C(C=C(C=C3)C(=S)N)F

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=C(C=C(C=C3)C(=S)N)F

InChI

InChI=1S/C17H17FN2S/c18-16-9-13(17(19)21)5-6-15(16)11-20-8-7-12-3-1-2-4-14(12)10-20/h1-6,9H,7-8,10-11H2,(H2,19,21)