3-fluoranyl-4-(isoquinolin-5-ylamino)benzenecarbothioamide

Systemtic Name: 3-fluoranyl-4-(isoquinolin-5-ylamino)benzenecarbothioamide Openeye Name: 3-fluoro-4-(5-isoquinolylamino)benzenecarbothioamide CAS Name: 3-fluoro-4-(5-isoquinolinylamino)benzenecarbothioamide IUPAC Name: 3-fluoro-4-(isoquinolin-5-ylamino)benzenecarbothioamide Traditional Name: 3-fluoro-4-(5-isoquinolylamino)thiobenzamide Formula: C16H12FN3S MolecularWeight: 297.349983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)NC3=C(C=C(C=C3)C(=S)N)F

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)NC3=C(C=C(C=C3)C(=S)N)F

InChI

InChI=1S/C16H12FN3S/c17-13-8-10(16(18)21)4-5-15(13)20-14-3-1-2-11-9-19-7-6-12(11)14/h1-9,20H,(H2,18,21)