O-(2,3-dimethylquinoxalin-6-yl) 4-phenylpiperazine-1-carbothioate

Systemtic Name: O-(2,3-dimethylquinoxalin-6-yl) 4-phenylpiperazine-1-carbothioate Openeye Name: O-(2,3-dimethylquinoxalin-6-yl) 4-phenylpiperazine-1-carbothioate CAS Name: 4-phenyl-1-piperazinecarbothioic acid O-(2,3-dimethyl-6-quinoxalinyl) ester IUPAC Name: O-(2,3-dimethylquinoxalin-6-yl) 4-phenylpiperazine-1-carbothioate Traditional Name: 4-phenylpiperazine-1-carbothioic acid O-(2,3-dimethylquinoxalin-6-yl) ester Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)OC(=S)N3CCN(CC3)C4=CC=CC=C4)N=C1C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)OC(=S)N3CCN(CC3)C4=CC=CC=C4)N=C1C

InChI

InChI=1S/C21H22N4OS/c1-15-16(2)23-20-14-18(8-9-19(20)22-15)26-21(27)25-12-10-24(11-13-25)17-6-4-3-5-7-17/h3-9,14H,10-13H2,1-2H3