1-isoquinolin-5-yl-3-[(4-thiomorpholin-4-ylphenyl)methyl]urea

Systemtic Name: 1-isoquinolin-5-yl-3-[(4-thiomorpholin-4-ylphenyl)methyl]urea Openeye Name: 1-(5-isoquinolyl)-3-[(4-thiomorpholinophenyl)methyl]urea CAS Name: 1-(5-isoquinolinyl)-3-[(4-thiomorpholin-4-ylphenyl)methyl]urea IUPAC Name: 1-isoquinolin-5-yl-3-[(4-thiomorpholin-4-ylphenyl)methyl]urea Traditional Name: 1-(5-isoquinolyl)-3-(4-thiomorpholinobenzyl)urea Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C2=CC=C(C=C2)CNC(=O)NC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CSCCN1C2=CC=C(C=C2)CNC(=O)NC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H22N4OS/c26-21(24-20-3-1-2-17-15-22-9-8-19(17)20)23-14-16-4-6-18(7-5-16)25-10-12-27-13-11-25/h1-9,15H,10-14H2,(H2,23,24,26)