1-(5-azanyl-2-chloranyl-phenyl)-4-(2-thiomorpholin-2-ylethyl)-2,4-dihydro-1H-isoquinolin-3-one

Systemtic Name: 1-(5-azanyl-2-chloranyl-phenyl)-4-(2-thiomorpholin-2-ylethyl)-2,4-dihydro-1H-isoquinolin-3-one Openeye Name: 1-(5-amino-2-chloro-phenyl)-4-(2-thiomorpholin-2-ylethyl)-2,4-dihydro-1H-isoquinolin-3-one CAS Name: 1-(5-amino-2-chlorophenyl)-4-[2-(2-thiomorpholinyl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one IUPAC Name: 1-(5-amino-2-chlorophenyl)-4-(2-thiomorpholin-2-ylethyl)-2,4-dihydro-1H-isoquinolin-3-one Traditional Name: 1-(5-amino-2-chloro-phenyl)-4-(2-thiomorpholin-2-ylethyl)-2,4-dihydro-1H-isoquinolin-3-one Formula: C21H24ClN3OS MolecularWeight: 401.95276

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(CN1)CCC2C3=CC=CC=C3C(NC2=O)C4=C(C=CC(=C4)N)Cl

Isomeric SMILES

C1CSC(CN1)CCC2C3=CC=CC=C3C(NC2=O)C4=C(C=CC(=C4)N)Cl

InChI

InChI=1S/C21H24ClN3OS/c22-19-8-5-13(23)11-18(19)20-16-4-2-1-3-15(16)17(21(26)25-20)7-6-14-12-24-9-10-27-14/h1-5,8,11,14,17,20,24H,6-7,9-10,12,23H2,(H,25,26)