S-[(3-methoxyquinoxalin-2-yl)amino] 4-(3-bromophenyl)piperazine-1-carbothioate

Systemtic Name: S-[(3-methoxyquinoxalin-2-yl)amino] 4-(3-bromophenyl)piperazine-1-carbothioate Openeye Name: S-[(3-methoxyquinoxalin-2-yl)amino] 4-(3-bromophenyl)piperazine-1-carbothioate CAS Name: 4-(3-bromophenyl)-1-piperazinecarbothioic acid S-[(3-methoxy-2-quinoxalinyl)amino] ester IUPAC Name: S-[(3-methoxyquinoxalin-2-yl)amino] 4-(3-bromophenyl)piperazine-1-carbothioate Traditional Name: 4-(3-bromophenyl)piperazine-1-carbothioic acid S-[(3-methoxyquinoxalin-2-yl)amino] ester Formula: C20H20BrN5O2S MolecularWeight: 474.3741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20BrN5O2S/c1-28-19-18(22-16-7-2-3-8-17(16)23-19)24-29-20(27)26-11-9-25(10-12-26)15-6-4-5-14(21)13-15/h2-8,13H,9-12H2,1H3,(H,22,24)