1-(4-aminophenyl)-4-(2-thiomorpholin-2-ylethyl)-2,4-dihydro-1H-isoquinolin-3-one

Systemtic Name: 1-(4-aminophenyl)-4-(2-thiomorpholin-2-ylethyl)-2,4-dihydro-1H-isoquinolin-3-one Openeye Name: 1-(4-aminophenyl)-4-(2-thiomorpholin-2-ylethyl)-2,4-dihydro-1H-isoquinolin-3-one CAS Name: 1-(4-aminophenyl)-4-[2-(2-thiomorpholinyl)ethyl]-2,4-dihydro-1H-isoquinolin-3-one IUPAC Name: 1-(4-aminophenyl)-4-(2-thiomorpholin-2-ylethyl)-2,4-dihydro-1H-isoquinolin-3-one Traditional Name: 1-(4-aminophenyl)-4-(2-thiomorpholin-2-ylethyl)-2,4-dihydro-1H-isoquinolin-3-one Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3OS/c22-15-7-5-14(6-8-15)20-18-4-2-1-3-17(18)19(21(25)24-20)10-9-16-13-23-11-12-26-16/h1-8,16,19-20,23H,9-13,22H2,(H,24,25)