1-[2,4-bis(fluoranyl)phenyl]-3-isoquinolin-5-yl-thiourea

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-3-isoquinolin-5-yl-thiourea Openeye Name: 1-(2,4-difluorophenyl)-3-(5-isoquinolyl)thiourea CAS Name: 1-(2,4-difluorophenyl)-3-(5-isoquinolinyl)thiourea IUPAC Name: 1-(2,4-difluorophenyl)-3-isoquinolin-5-ylthiourea Traditional Name: 1-(2,4-difluorophenyl)-3-(5-isoquinolyl)thiourea Formula: C16H11F2N3S MolecularWeight: 315.340446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11F2N3S/c17-11-4-5-15(13(18)8-11)21-16(22)20-14-3-1-2-10-9-19-7-6-12(10)14/h1-9H,(H2,20,21,22)