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

Systemtic Name: 1-(3-azanyl-4-chloranyl-phenyl)-4-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-isoquinoline-3-thione Openeye Name: 1-(3-amino-4-chloro-phenyl)-4-(2-morpholinoethyl)-2,4-dihydro-1H-isoquinoline-3-thione CAS Name: 1-(3-amino-4-chlorophenyl)-4-[2-(4-morpholinyl)ethyl]-2,4-dihydro-1H-isoquinoline-3-thione IUPAC Name: 1-(3-amino-4-chlorophenyl)-4-(2-morpholin-4-ylethyl)-2,4-dihydro-1H-isoquinoline-3-thione Traditional Name: 1-(3-amino-4-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=CC(=C(C=C4)Cl)N

Isomeric SMILES

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

InChI

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