1-[3-(methylaminomethyl)-4-(4-methylsulfanylphenoxy)phenyl]-4-propan-2-yl-piperazin-2-one

Systemtic Name: 1-[3-(methylaminomethyl)-4-(4-methylsulfanylphenoxy)phenyl]-4-propan-2-yl-piperazin-2-one Openeye Name: 4-isopropyl-1-[3-(methylaminomethyl)-4-(4-methylsulfanylphenoxy)phenyl]piperazin-2-one CAS Name: 1-[3-(methylaminomethyl)-4-[4-(methylthio)phenoxy]phenyl]-4-propan-2-yl-2-piperazinone IUPAC Name: 1-[3-(methylaminomethyl)-4-(4-methylsulfanylphenoxy)phenyl]-4-propan-2-ylpiperazin-2-one Traditional Name: 4-isopropyl-1-[3-(methylaminomethyl)-4-[4-(methylthio)phenoxy]phenyl]piperazin-2-one Formula: C22H29N3O2S MolecularWeight: 399.54956

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(C(=O)C1)C2=CC(=C(C=C2)OC3=CC=C(C=C3)SC)CNC

Isomeric SMILES

CC(C)N1CCN(C(=O)C1)C2=CC(=C(C=C2)OC3=CC=C(C=C3)SC)CNC

InChI

InChI=1S/C22H29N3O2S/c1-16(2)24-11-12-25(22(26)15-24)18-5-10-21(17(13-18)14-23-3)27-19-6-8-20(28-4)9-7-19/h5-10,13,16,23H,11-12,14-15H2,1-4H3