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

Systemtic Name: 1-(3-azanyl-4-chloranyl-phenyl)-4-(2-thiomorpholin-2-ylethyl)-2,4-dihydro-1H-isoquinoline-3-thione Openeye Name: 1-(3-amino-4-chloro-phenyl)-4-(2-thiomorpholin-2-ylethyl)-2,4-dihydro-1H-isoquinoline-3-thione CAS Name: 1-(3-amino-4-chlorophenyl)-4-[2-(2-thiomorpholinyl)ethyl]-2,4-dihydro-1H-isoquinoline-3-thione IUPAC Name: 1-(3-amino-4-chlorophenyl)-4-(2-thiomorpholin-2-ylethyl)-2,4-dihydro-1H-isoquinoline-3-thione Traditional Name: 1-(3-amino-4-chloro-phenyl)-4-(2-thiomorpholin-2-ylethyl)-2,4-dihydro-1H-isoquinoline-3-thione Formula: C21H24ClN3S2 MolecularWeight: 418.01836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3S2/c22-18-8-5-13(11-19(18)23)20-16-4-2-1-3-15(16)17(21(26)25-20)7-6-14-12-24-9-10-27-14/h1-5,8,11,14,17,20,24H,6-7,9-10,12,23H2,(H,25,26)