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

Systemtic Name: 5-[(4-tert-butylphenyl)methoxy]-2-[[4-(2-propylsulfanylpyridin-3-yl)carbonylpiperazin-1-yl]methyl]pyran-4-one Openeye Name: 5-[(4-tert-butylphenyl)methoxy]-2-[[4-(2-propylsulfanylpyridine-3-carbonyl)piperazin-1-yl]methyl]pyran-4-one CAS Name: 5-[(4-tert-butylphenyl)methoxy]-2-[[4-[oxo-[2-(propylthio)-3-pyridinyl]methyl]-1-piperazinyl]methyl]-4-pyranone IUPAC Name: 5-[(4-tert-butylphenyl)methoxy]-2-[[4-(2-propylsulfanylpyridine-3-carbonyl)piperazin-1-yl]methyl]pyran-4-one Traditional Name: 5-(4-tert-butylbenzyl)oxy-2-[[4-[2-(propylthio)nicotinoyl]piperazino]methyl]pyran-4-one Formula: C30H37N3O4S MolecularWeight: 535.69748

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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=C(C=C4)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C30H37N3O4S/c1-5-17-38-28-25(7-6-12-31-28)29(35)33-15-13-32(14-16-33)19-24-18-26(34)27(21-36-24)37-20-22-8-10-23(11-9-22)30(2,3)4/h6-12,18,21H,5,13-17,19-20H2,1-4H3