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

Systemtic Name: S-[(3-methoxyquinoxalin-2-yl)amino] 4-(4-ethanoylphenyl)piperazine-1-carbothioate Openeye Name: S-[(3-methoxyquinoxalin-2-yl)amino] 4-(4-acetylphenyl)piperazine-1-carbothioate CAS Name: 4-(4-acetylphenyl)-1-piperazinecarbothioic acid S-[(3-methoxy-2-quinoxalinyl)amino] ester IUPAC Name: S-[(3-methoxyquinoxalin-2-yl)amino] 4-(4-acetylphenyl)piperazine-1-carbothioate Traditional Name: 4-(4-acetylphenyl)piperazine-1-carbothioic acid S-[(3-methoxyquinoxalin-2-yl)amino] ester Formula: C22H23N5O3S MolecularWeight: 437.51472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O3S/c1-15(28)16-7-9-17(10-8-16)26-11-13-27(14-12-26)22(29)31-25-20-21(30-2)24-19-6-4-3-5-18(19)23-20/h3-10H,11-14H2,1-2H3,(H,23,25)