1-[4-[1,1-bis(oxidanylidene)thiolan-3-yl]carbonylpiperazin-1-yl]-2-phenyl-butan-1-one

Systemtic Name: 1-[4-[1,1-bis(oxidanylidene)thiolan-3-yl]carbonylpiperazin-1-yl]-2-phenyl-butan-1-one Openeye Name: 1-[4-(1,1-dioxothiolane-3-carbonyl)piperazin-1-yl]-2-phenyl-butan-1-one CAS Name: 1-[4-[(1,1-dioxo-3-thiolanyl)-oxomethyl]-1-piperazinyl]-2-phenyl-1-butanone IUPAC Name: 1-[4-(1,1-dioxothiolane-3-carbonyl)piperazin-1-yl]-2-phenylbutan-1-one Traditional Name: 1-[4-(1,1-diketothiolane-3-carbonyl)piperazino]-2-phenyl-butan-1-one Formula: C19H26N2O4S MolecularWeight: 378.48574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C(=O)C3CCS(=O)(=O)C3

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C(=O)C3CCS(=O)(=O)C3

InChI

InChI=1S/C19H26N2O4S/c1-2-17(15-6-4-3-5-7-15)19(23)21-11-9-20(10-12-21)18(22)16-8-13-26(24,25)14-16/h3-7,16-17H,2,8-14H2,1H3