[4-(3-methylphenyl)piperazin-1-yl]-[2-(oxolan-2-ylmethylsulfanyl)phenyl]methanone

Systemtic Name: [4-(3-methylphenyl)piperazin-1-yl]-[2-(oxolan-2-ylmethylsulfanyl)phenyl]methanone Openeye Name: [4-(m-tolyl)piperazin-1-yl]-[2-(tetrahydrofuran-2-ylmethylsulfanyl)phenyl]methanone CAS Name: [4-(3-methylphenyl)-1-piperazinyl]-[2-(2-oxolanylmethylthio)phenyl]methanone IUPAC Name: [4-(3-methylphenyl)piperazin-1-yl]-[2-(oxolan-2-ylmethylsulfanyl)phenyl]methanone Traditional Name: [4-(m-tolyl)piperazino]-[2-(tetrahydrofurfurylthio)phenyl]methanone Formula: C23H28N2O2S MolecularWeight: 396.54562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3SCC4CCCO4

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=O)C3=CC=CC=C3SCC4CCCO4

InChI

InChI=1S/C23H28N2O2S/c1-18-6-4-7-19(16-18)24-11-13-25(14-12-24)23(26)21-9-2-3-10-22(21)28-17-20-8-5-15-27-20/h2-4,6-7,9-10,16,20H,5,8,11-15,17H2,1H3