S-methyl 4-(3-chlorophenyl)-1-[(2-methoxyquinolin-3-yl)amino]piperazine-2-carbothioate

Systemtic Name: S-methyl 4-(3-chlorophenyl)-1-[(2-methoxyquinolin-3-yl)amino]piperazine-2-carbothioate Openeye Name: S-methyl 4-(3-chlorophenyl)-1-[(2-methoxy-3-quinolyl)amino]piperazine-2-carbothioate CAS Name: 4-(3-chlorophenyl)-1-[(2-methoxy-3-quinolinyl)amino]-2-piperazinecarbothioic acid S-methyl ester IUPAC Name: S-methyl 4-(3-chlorophenyl)-1-[(2-methoxyquinolin-3-yl)amino]piperazine-2-carbothioate Traditional Name: 4-(3-chlorophenyl)-1-[(2-methoxy-3-quinolyl)amino]piperazine-2-carbothioic acid S-methyl ester Formula: C22H23ClN4O2S MolecularWeight: 442.96162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC2=CC=CC=C2C=C1NN3CCN(CC3C(=O)SC)C4=CC(=CC=C4)Cl

Isomeric SMILES

COC1=NC2=CC=CC=C2C=C1NN3CCN(CC3C(=O)SC)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H23ClN4O2S/c1-29-21-19(12-15-6-3-4-9-18(15)24-21)25-27-11-10-26(14-20(27)22(28)30-2)17-8-5-7-16(23)13-17/h3-9,12-13,20,25H,10-11,14H2,1-2H3