1-(2-aminophenyl)-4-(2-thiomorpholin-2-ylethyl)-2,4-dihydro-1H-isoquinoline-3-thione

Systemtic Name: 1-(2-aminophenyl)-4-(2-thiomorpholin-2-ylethyl)-2,4-dihydro-1H-isoquinoline-3-thione Openeye Name: 1-(2-aminophenyl)-4-(2-thiomorpholin-2-ylethyl)-2,4-dihydro-1H-isoquinoline-3-thione CAS Name: 1-(2-aminophenyl)-4-[2-(2-thiomorpholinyl)ethyl]-2,4-dihydro-1H-isoquinoline-3-thione IUPAC Name: 1-(2-aminophenyl)-4-(2-thiomorpholin-2-ylethyl)-2,4-dihydro-1H-isoquinoline-3-thione Traditional Name: 1-(2-aminophenyl)-4-(2-thiomorpholin-2-ylethyl)-2,4-dihydro-1H-isoquinoline-3-thione Formula: C21H25N3S2 MolecularWeight: 383.5733

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSC(CN1)CCC2C3=CC=CC=C3C(NC2=S)C4=CC=CC=C4N

Isomeric SMILES

C1CSC(CN1)CCC2C3=CC=CC=C3C(NC2=S)C4=CC=CC=C4N

InChI

InChI=1S/C21H25N3S2/c22-19-8-4-3-7-18(19)20-16-6-2-1-5-15(16)17(21(25)24-20)10-9-14-13-23-11-12-26-14/h1-8,14,17,20,23H,9-13,22H2,(H,24,25)