[4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(2-phenylsulfanylethoxy)phenyl]methanone

Systemtic Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(2-phenylsulfanylethoxy)phenyl]methanone Openeye Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(2-phenylsulfanylethoxy)phenyl]methanone CAS Name: [4-(2,3-dimethylphenyl)-1-piperazinyl]-[4-[2-(phenylthio)ethoxy]phenyl]methanone IUPAC Name: [4-(2,3-dimethylphenyl)piperazin-1-yl]-[4-(2-phenylsulfanylethoxy)phenyl]methanone Traditional Name: [4-(2,3-dimethylphenyl)piperazino]-[4-[2-(phenylthio)ethoxy]phenyl]methanone Formula: C27H30N2O2S MolecularWeight: 446.6043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)OCCSC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)OCCSC4=CC=CC=C4)C

InChI

InChI=1S/C27H30N2O2S/c1-21-7-6-10-26(22(21)2)28-15-17-29(18-16-28)27(30)23-11-13-24(14-12-23)31-19-20-32-25-8-4-3-5-9-25/h3-14H,15-20H2,1-2H3