S-[(2-methoxyquinolin-3-yl)amino] 4-(3,5-dimethoxyphenyl)piperazine-1-carbothioate

Systemtic Name: S-[(2-methoxyquinolin-3-yl)amino] 4-(3,5-dimethoxyphenyl)piperazine-1-carbothioate Openeye Name: S-[(2-methoxy-3-quinolyl)amino] 4-(3,5-dimethoxyphenyl)piperazine-1-carbothioate CAS Name: 4-(3,5-dimethoxyphenyl)-1-piperazinecarbothioic acid S-[(2-methoxy-3-quinolinyl)amino] ester IUPAC Name: S-[(2-methoxyquinolin-3-yl)amino] 4-(3,5-dimethoxyphenyl)piperazine-1-carbothioate Traditional Name: 4-(3,5-dimethoxyphenyl)piperazine-1-carbothioic acid S-[(2-methoxy-3-quinolyl)amino] ester Formula: C23H26N4O4S MolecularWeight: 454.54194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)N2CCN(CC2)C(=O)SNC3=CC4=CC=CC=C4N=C3OC)OC

Isomeric SMILES

COC1=CC(=CC(=C1)N2CCN(CC2)C(=O)SNC3=CC4=CC=CC=C4N=C3OC)OC

InChI

InChI=1S/C23H26N4O4S/c1-29-18-13-17(14-19(15-18)30-2)26-8-10-27(11-9-26)23(28)32-25-21-12-16-6-4-5-7-20(16)24-22(21)31-3/h4-7,12-15,25H,8-11H2,1-3H3