2-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-1-(4-propylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-1-(4-propylpiperazin-1-yl)ethanone Openeye Name: 2-[[2-(3,4-dimethoxyphenyl)-5-methyl-oxazol-4-yl]methylsulfanyl]-1-(4-propylpiperazin-1-yl)ethanone CAS Name: 2-[[2-(3,4-dimethoxyphenyl)-5-methyl-4-oxazolyl]methylthio]-1-(4-propyl-1-piperazinyl)ethanone IUPAC Name: 2-[[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-1-(4-propylpiperazin-1-yl)ethanone Traditional Name: 2-[[2-(3,4-dimethoxyphenyl)-5-methyl-oxazol-4-yl]methylthio]-1-(4-propylpiperazino)ethanone Formula: C22H31N3O4S MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1CCN(CC1)C(=O)CSCC2=C(OC(=N2)C3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CCCN1CCN(CC1)C(=O)CSCC2=C(OC(=N2)C3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C22H31N3O4S/c1-5-8-24-9-11-25(12-10-24)21(26)15-30-14-18-16(2)29-22(23-18)17-6-7-19(27-3)20(13-17)28-4/h6-7,13H,5,8-12,14-15H2,1-4H3