1-(2-azanyl-6-chloranyl-phenyl)-4-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-isoquinoline-3-thione

Systemtic Name: 1-(2-azanyl-6-chloranyl-phenyl)-4-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-isoquinoline-3-thione Openeye Name: 1-(2-amino-6-chloro-phenyl)-4-(2-morpholinoethyl)-2,4-dihydro-1H-isoquinoline-3-thione CAS Name: 1-(2-amino-6-chlorophenyl)-4-[2-(4-morpholinyl)ethyl]-2,4-dihydro-1H-isoquinoline-3-thione IUPAC Name: 1-(2-amino-6-chlorophenyl)-4-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-isoquinoline-3-thione Traditional Name: 1-(2-amino-6-chloro-phenyl)-4-(2-morpholinoethyl)-2,4-dihydro-1H-isoquinoline-3-thione Formula: C21H24ClN3OS MolecularWeight: 401.95276

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCC2C3=CC=CC=C3C(NC2=S)C4=C(C=CC=C4Cl)N

Isomeric SMILES

C1COCCN1CCC2C3=CC=CC=C3C(NC2=S)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(27)24-20)8-9-25-10-12-26-13-11-25/h1-7,16,20H,8-13,23H2,(H,24,27)