2-(3-aminophenyl)-1-chloranyl-4-(2-thiomorpholin-2-ylethyl)-1,4-dihydroisoquinoline-3-thione

Systemtic Name: 2-(3-aminophenyl)-1-chloranyl-4-(2-thiomorpholin-2-ylethyl)-1,4-dihydroisoquinoline-3-thione Openeye Name: 2-(3-aminophenyl)-1-chloro-4-(2-thiomorpholin-2-ylethyl)-1,4-dihydroisoquinoline-3-thione CAS Name: 2-(3-aminophenyl)-1-chloro-4-[2-(2-thiomorpholinyl)ethyl]-1,4-dihydroisoquinoline-3-thione IUPAC Name: 2-(3-aminophenyl)-1-chloro-4-(2-thiomorpholin-2-ylethyl)-1,4-dihydroisoquinoline-3-thione Traditional Name: 2-(3-aminophenyl)-1-chloro-4-(2-thiomorpholin-2-ylethyl)-1,4-dihydroisoquinoline-3-thione Formula: C21H24ClN3S2 MolecularWeight: 418.01836

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(CN1)CCC2C3=CC=CC=C3C(N(C2=S)C4=CC(=CC=C4)N)Cl

Isomeric SMILES

C1CSC(CN1)CCC2C3=CC=CC=C3C(N(C2=S)C4=CC(=CC=C4)N)Cl

InChI

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