1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanyl-ethanone CAS Name: 1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-[[3-(1-pyrrolidinyl)-2-quinoxalinyl]thio]ethanone IUPAC Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)sulfanylethanone Traditional Name: 1-[4-(2,3-dimethylphenyl)piperazino]-2-[(3-pyrrolidinoquinoxalin-2-yl)thio]ethanone Formula: C26H31N5OS MolecularWeight: 461.62224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N=C3N5CCCC5)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N=C3N5CCCC5)C

InChI

InChI=1S/C26H31N5OS/c1-19-8-7-11-23(20(19)2)29-14-16-30(17-15-29)24(32)18-33-26-25(31-12-5-6-13-31)27-21-9-3-4-10-22(21)28-26/h3-4,7-11H,5-6,12-18H2,1-2H3