methyl 4-(3-chlorophenyl)-N-(2-methoxyquinolin-3-yl)piperazine-1-carboximidothioate

Systemtic Name: methyl 4-(3-chlorophenyl)-N-(2-methoxyquinolin-3-yl)piperazine-1-carboximidothioate Openeye Name: methyl 4-(3-chlorophenyl)-N-(2-methoxy-3-quinolyl)piperazine-1-carboximidothioate CAS Name: 4-(3-chlorophenyl)-N-(2-methoxy-3-quinolinyl)-1-piperazinecarboximidothioic acid methyl ester IUPAC Name: methyl 4-(3-chlorophenyl)-N-(2-methoxyquinolin-3-yl)piperazine-1-carboximidothioate Traditional Name: 4-(3-chlorophenyl)-N-(2-methoxy-3-quinolyl)piperazine-1-carboximidothioic acid methyl ester Formula: C22H23ClN4OS MolecularWeight: 426.96222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC2=CC=CC=C2C=C1N=C(N3CCN(CC3)C4=CC(=CC=C4)Cl)SC

Isomeric SMILES

COC1=NC2=CC=CC=C2C=C1N=C(N3CCN(CC3)C4=CC(=CC=C4)Cl)SC

InChI

InChI=1S/C22H23ClN4OS/c1-28-21-20(14-16-6-3-4-9-19(16)24-21)25-22(29-2)27-12-10-26(11-13-27)18-8-5-7-17(23)15-18/h3-9,14-15H,10-13H2,1-2H3