1-(2-methyl-1-oxidanylidene-isoquinolin-4-yl)-3-[2-(4-methylsulfanylphenyl)ethyl]urea

Systemtic Name: 1-(2-methyl-1-oxidanylidene-isoquinolin-4-yl)-3-[2-(4-methylsulfanylphenyl)ethyl]urea Openeye Name: 1-(2-methyl-1-oxo-4-isoquinolyl)-3-[2-(4-methylsulfanylphenyl)ethyl]urea CAS Name: 1-(2-methyl-1-oxo-4-isoquinolinyl)-3-[2-[4-(methylthio)phenyl]ethyl]urea IUPAC Name: 1-(2-methyl-1-oxoisoquinolin-4-yl)-3-[2-(4-methylsulfanylphenyl)ethyl]urea Traditional Name: 1-(1-keto-2-methyl-4-isoquinolyl)-3-[2-[4-(methylthio)phenyl]ethyl]urea Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C2C1=O)NC(=O)NCCC3=CC=C(C=C3)SC

Isomeric SMILES

CN1C=C(C2=CC=CC=C2C1=O)NC(=O)NCCC3=CC=C(C=C3)SC

InChI

InChI=1S/C20H21N3O2S/c1-23-13-18(16-5-3-4-6-17(16)19(23)24)22-20(25)21-12-11-14-7-9-15(26-2)10-8-14/h3-10,13H,11-12H2,1-2H3,(H2,21,22,25)