1-isoquinolin-5-yl-3-[1-(4-methylphenoxy)-4-methylsulfanyl-butan-2-yl]urea

Systemtic Name: 1-isoquinolin-5-yl-3-[1-(4-methylphenoxy)-4-methylsulfanyl-butan-2-yl]urea Openeye Name: 1-(5-isoquinolyl)-3-[1-[(4-methylphenoxy)methyl]-3-methylsulfanyl-propyl]urea CAS Name: 1-(5-isoquinolinyl)-3-[1-(4-methylphenoxy)-4-(methylthio)butan-2-yl]urea IUPAC Name: 1-isoquinolin-5-yl-3-[1-(4-methylphenoxy)-4-methylsulfanylbutan-2-yl]urea Traditional Name: 1-(5-isoquinolyl)-3-[1-[(4-methylphenoxy)methyl]-3-(methylthio)propyl]urea Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(CCSC)NC(=O)NC2=CC=CC3=C2C=CN=C3

Isomeric SMILES

CC1=CC=C(C=C1)OCC(CCSC)NC(=O)NC2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C22H25N3O2S/c1-16-6-8-19(9-7-16)27-15-18(11-13-28-2)24-22(26)25-21-5-3-4-17-14-23-12-10-20(17)21/h3-10,12,14,18H,11,13,15H2,1-2H3,(H2,24,25,26)