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

Systemtic Name: S-[(3-methoxyquinoxalin-2-yl)amino] 4-[3,5-bis(fluoranyl)phenyl]piperazine-1-carbothioate Openeye Name: S-[(3-methoxyquinoxalin-2-yl)amino] 4-(3,5-difluorophenyl)piperazine-1-carbothioate CAS Name: 4-(3,5-difluorophenyl)-1-piperazinecarbothioic acid S-[(3-methoxy-2-quinoxalinyl)amino] ester IUPAC Name: S-[(3-methoxyquinoxalin-2-yl)amino] 4-(3,5-difluorophenyl)piperazine-1-carbothioate Traditional Name: 4-(3,5-difluorophenyl)piperazine-1-carbothioic acid S-[(3-methoxyquinoxalin-2-yl)amino] ester Formula: C20H19F2N5O2S MolecularWeight: 431.458966

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC2=CC=CC=C2N=C1NSC(=O)N3CCN(CC3)C4=CC(=CC(=C4)F)F

Isomeric SMILES

COC1=NC2=CC=CC=C2N=C1NSC(=O)N3CCN(CC3)C4=CC(=CC(=C4)F)F

InChI

InChI=1S/C20H19F2N5O2S/c1-29-19-18(23-16-4-2-3-5-17(16)24-19)25-30-20(28)27-8-6-26(7-9-27)15-11-13(21)10-14(22)12-15/h2-5,10-12H,6-9H2,1H3,(H,23,25)