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

Systemtic Name: 1-isoquinolin-5-yl-3-[(4-thiomorpholin-4-ylphenyl)methyl]urea hydrochloride Openeye Name: 1-(5-isoquinolyl)-3-[(4-thiomorpholinophenyl)methyl]urea hydrochloride CAS Name: 1-(5-isoquinolinyl)-3-[(4-thiomorpholin-4-ylphenyl)methyl]urea hydrochloride IUPAC Name: 1-isoquinolin-5-yl-3-[(4-thiomorpholin-4-ylphenyl)methyl]urea hydrochloride Traditional Name: 1-(5-isoquinolyl)-3-(4-thiomorpholinobenzyl)urea hydrochloride Formula: C21H23ClN4OS MolecularWeight: 414.95152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4OS.ClH/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);1H