S-methyl 3-[4-[(2-methoxyquinolin-3-yl)amino]piperazin-1-yl]-5-methyl-benzenecarbothioate

Systemtic Name: S-methyl 3-[4-[(2-methoxyquinolin-3-yl)amino]piperazin-1-yl]-5-methyl-benzenecarbothioate Openeye Name: S-methyl 3-[4-[(2-methoxy-3-quinolyl)amino]piperazin-1-yl]-5-methyl-benzenecarbothioate CAS Name: 3-[4-[(2-methoxy-3-quinolinyl)amino]-1-piperazinyl]-5-methylbenzenecarbothioic acid S-methyl ester IUPAC Name: S-methyl 3-[4-[(2-methoxyquinolin-3-yl)amino]piperazin-1-yl]-5-methylbenzenecarbothioate Traditional Name: 3-[4-[(2-methoxy-3-quinolyl)amino]piperazino]-5-methyl-thiobenzoic acid S-methyl ester Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=O)SC)N2CCN(CC2)NC3=CC4=CC=CC=C4N=C3OC

Isomeric SMILES

CC1=CC(=CC(=C1)C(=O)SC)N2CCN(CC2)NC3=CC4=CC=CC=C4N=C3OC

InChI

InChI=1S/C23H26N4O2S/c1-16-12-18(23(28)30-3)14-19(13-16)26-8-10-27(11-9-26)25-21-15-17-6-4-5-7-20(17)24-22(21)29-2/h4-7,12-15,25H,8-11H2,1-3H3