1-(2-azanyl-6-chloranyl-phenyl)-4-(2-thiomorpholin-2-ylethyl)-2,4-dihydro-1H-isoquinolin-3-one

Systemtic Name: 1-(2-azanyl-6-chloranyl-phenyl)-4-(2-thiomorpholin-2-ylethyl)-2,4-dihydro-1H-isoquinolin-3-one Openeye Name: 1-(2-amino-6-chloro-phenyl)-4-(2-thiomorpholin-2-ylethyl)-2,4-dihydro-1H-isoquinolin-3-one CAS Name: 1-(2-amino-6-chlorophenyl)-4-[2-(2-thiomorpholinyl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one IUPAC Name: 1-(2-amino-6-chlorophenyl)-4-(2-thiomorpholin-2-ylethyl)-2,4-dihydro-1H-isoquinolin-3-one Traditional Name: 1-(2-amino-6-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=C4Cl)N

Isomeric SMILES

C1CSC(CN1)CCC2C3=CC=CC=C3C(NC2=O)C4=C(C=CC=C4Cl)N

InChI

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