1-isoquinolin-5-yl-3-[[4-(5-oxa-7-thia-2-azabicyclo[4.1.0]heptan-2-yl)phenyl]methyl]urea

Systemtic Name: 1-isoquinolin-5-yl-3-[[4-(5-oxa-7-thia-2-azabicyclo[4.1.0]heptan-2-yl)phenyl]methyl]urea Openeye Name: 1-(5-isoquinolyl)-3-[[4-(5-oxa-7-thia-2-azabicyclo[4.1.0]heptan-2-yl)phenyl]methyl]urea CAS Name: 1-(5-isoquinolinyl)-3-[[4-(5-oxa-7-thia-2-azabicyclo[4.1.0]heptan-2-yl)phenyl]methyl]urea IUPAC Name: 1-isoquinolin-5-yl-3-[[4-(5-oxa-7-thia-2-azabicyclo[4.1.0]heptan-2-yl)phenyl]methyl]urea Traditional Name: 1-(5-isoquinolyl)-3-[4-(5-oxa-7-thia-2-azabicyclo[4.1.0]heptan-2-yl)benzyl]urea Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2C(N1C3=CC=C(C=C3)CNC(=O)NC4=CC=CC5=C4C=CN=C5)S2

Isomeric SMILES

C1COC2C(N1C3=CC=C(C=C3)CNC(=O)NC4=CC=CC5=C4C=CN=C5)S2

InChI

InChI=1S/C21H20N4O2S/c26-21(24-18-3-1-2-15-13-22-9-8-17(15)18)23-12-14-4-6-16(7-5-14)25-10-11-27-20-19(25)28-20/h1-9,13,19-20H,10-12H2,(H2,23,24,26)