1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone Openeye Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-quinazolin-4-ylsulfanyl-ethanone CAS Name: 1-[4-(2,3-dimethylphenyl)-1-piperazinyl]-2-(4-quinazolinylthio)ethanone IUPAC Name: 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-quinazolin-4-ylsulfanylethanone Traditional Name: 1-[4-(2,3-dimethylphenyl)piperazino]-2-(quinazolin-4-ylthio)ethanone Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CSC3=NC=NC4=CC=CC=C43)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)CSC3=NC=NC4=CC=CC=C43)C

InChI

InChI=1S/C22H24N4OS/c1-16-6-5-9-20(17(16)2)25-10-12-26(13-11-25)21(27)14-28-22-18-7-3-4-8-19(18)23-15-24-22/h3-9,15H,10-14H2,1-2H3