(3,4-dimethoxyphenyl)-[4-[3-(methylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]methanone

Systemtic Name: (3,4-dimethoxyphenyl)-[4-[3-(methylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]methanone Openeye Name: (3,4-dimethoxyphenyl)-[4-[3-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]methanone CAS Name: (3,4-dimethoxyphenyl)-[4-[[3-[(methylthio)methyl]phenyl]-oxomethyl]-1-piperazinyl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-[4-[3-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]methanone Traditional Name: (3,4-dimethoxyphenyl)-[4-[3-[(methylthio)methyl]benzoyl]piperazino]methanone Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)CSC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)CSC)OC

InChI

InChI=1S/C22H26N2O4S/c1-27-19-8-7-18(14-20(19)28-2)22(26)24-11-9-23(10-12-24)21(25)17-6-4-5-16(13-17)15-29-3/h4-8,13-14H,9-12,15H2,1-3H3