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

Systemtic Name: S-[(2-methylquinolin-3-yl)amino] 4-(3,5-dimethoxyphenyl)piperazine-1-carbothioate Openeye Name: S-[(2-methyl-3-quinolyl)amino] 4-(3,5-dimethoxyphenyl)piperazine-1-carbothioate CAS Name: 4-(3,5-dimethoxyphenyl)-1-piperazinecarbothioic acid S-[(2-methyl-3-quinolinyl)amino] ester IUPAC Name: S-[(2-methylquinolin-3-yl)amino] 4-(3,5-dimethoxyphenyl)piperazine-1-carbothioate Traditional Name: 4-(3,5-dimethoxyphenyl)piperazine-1-carbothioic acid S-[(2-methyl-3-quinolyl)amino] ester Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C=C1NSC(=O)N3CCN(CC3)C4=CC(=CC(=C4)OC)OC

Isomeric SMILES

CC1=NC2=CC=CC=C2C=C1NSC(=O)N3CCN(CC3)C4=CC(=CC(=C4)OC)OC

InChI

InChI=1S/C23H26N4O3S/c1-16-22(12-17-6-4-5-7-21(17)24-16)25-31-23(28)27-10-8-26(9-11-27)18-13-19(29-2)15-20(14-18)30-3/h4-7,12-15,25H,8-11H2,1-3H3