5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(2-propylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]methyl]pyran-4-one

Systemtic Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(2-propylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]methyl]pyran-4-one Openeye Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(2-propylsulfanylpyridine-3-carbonyl)piperazin-1-yl]methyl]pyran-4-one CAS Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-[oxo-[2-(propylthio)-3-pyridinyl]methyl]-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 5-[(3,5-dimethylphenyl)methoxy]-2-[[4-(2-propylsulfanylpyridine-3-carbonyl)piperazin-1-yl]methyl]pyran-4-one Traditional Name: 5-(3,5-dimethylbenzyl)oxy-2-[[4-[2-(propylthio)nicotinoyl]piperazino]methyl]pyran-4-one Formula: C28H33N3O4S MolecularWeight: 507.64432

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC=N1)C(=O)N2CCN(CC2)CC3=CC(=O)C(=CO3)OCC4=CC(=CC(=C4)C)C

Isomeric SMILES

CCCSC1=C(C=CC=N1)C(=O)N2CCN(CC2)CC3=CC(=O)C(=CO3)OCC4=CC(=CC(=C4)C)C

InChI

InChI=1S/C28H33N3O4S/c1-4-12-36-27-24(6-5-7-29-27)28(33)31-10-8-30(9-11-31)17-23-16-25(32)26(19-34-23)35-18-22-14-20(2)13-21(3)15-22/h5-7,13-16,19H,4,8-12,17-18H2,1-3H3