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

Systemtic Name: S-[(3-methoxyquinoxalin-2-yl)amino] 4-(3,5-dimethylphenyl)piperazine-1-carbothioate Openeye Name: S-[(3-methoxyquinoxalin-2-yl)amino] 4-(3,5-dimethylphenyl)piperazine-1-carbothioate CAS Name: 4-(3,5-dimethylphenyl)-1-piperazinecarbothioic acid S-[(3-methoxy-2-quinoxalinyl)amino] ester IUPAC Name: S-[(3-methoxyquinoxalin-2-yl)amino] 4-(3,5-dimethylphenyl)piperazine-1-carbothioate Traditional Name: 4-(3,5-dimethylphenyl)piperazine-1-carbothioic acid S-[(3-methoxyquinoxalin-2-yl)amino] ester Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2CCN(CC2)C(=O)SNC3=NC4=CC=CC=C4N=C3OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2CCN(CC2)C(=O)SNC3=NC4=CC=CC=C4N=C3OC)C

InChI

InChI=1S/C22H25N5O2S/c1-15-12-16(2)14-17(13-15)26-8-10-27(11-9-26)22(28)30-25-20-21(29-3)24-19-7-5-4-6-18(19)23-20/h4-7,12-14H,8-11H2,1-3H3,(H,23,25)