4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]carbonyl-1-(3-methylsulfanylphenyl)pyrrolidin-2-one

Systemtic Name: 4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]carbonyl-1-(3-methylsulfanylphenyl)pyrrolidin-2-one Openeye Name: 4-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carbonyl]-1-(3-methylsulfanylphenyl)pyrrolidin-2-one CAS Name: 4-[[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazinyl]-oxomethyl]-1-[3-(methylthio)phenyl]-2-pyrrolidinone IUPAC Name: 4-[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1-carbonyl]-1-(3-methylsulfanylphenyl)pyrrolidin-2-one Traditional Name: 1-[3-(methylthio)phenyl]-4-(4-veratrylpiperazine-1-carbonyl)-2-pyrrolidone Formula: C25H31N3O4S MolecularWeight: 469.59634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3CC(=O)N(C3)C4=CC(=CC=C4)SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C(=O)C3CC(=O)N(C3)C4=CC(=CC=C4)SC)OC

InChI

InChI=1S/C25H31N3O4S/c1-31-22-8-7-18(13-23(22)32-2)16-26-9-11-27(12-10-26)25(30)19-14-24(29)28(17-19)20-5-4-6-21(15-20)33-3/h4-8,13,15,19H,9-12,14,16-17H2,1-3H3