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

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

CC(C1CNCCS1)C2C3=CC=CC=C3C(NC2=S)C4=CC(=C(C=C4)Cl)N

Isomeric SMILES

CC(C1CNCCS1)C2C3=CC=CC=C3C(NC2=S)C4=CC(=C(C=C4)Cl)N

InChI

InChI=1S/C21H24ClN3S2/c1-12(18-11-24-8-9-27-18)19-14-4-2-3-5-15(14)20(25-21(19)26)13-6-7-16(22)17(23)10-13/h2-7,10,12,18-20,24H,8-9,11,23H2,1H3,(H,25,26)