2-[2-[4-[1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-yl]carbonylphenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[2-[4-[1,1-bis(oxidanylidene)thiolan-3-yl]piperazin-1-yl]carbonylphenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[2-[4-(1,1-dioxothiolan-3-yl)piperazine-1-carbonyl]phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[2-[[4-(1,1-dioxo-3-thiolanyl)-1-piperazinyl]-oxomethyl]phenyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[2-[4-(1,1-dioxothiolan-3-yl)piperazine-1-carbonyl]phenyl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[2-[4-(1,1-diketothiolan-3-yl)piperazine-1-carbonyl]phenyl]thio]-1-pyrrolidino-ethanone Formula: C21H29N3O4S2 MolecularWeight: 451.60266

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)N3CCN(CC3)C4CCS(=O)(=O)C4

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)N3CCN(CC3)C4CCS(=O)(=O)C4

InChI

InChI=1S/C21H29N3O4S2/c25-20(23-8-3-4-9-23)15-29-19-6-2-1-5-18(19)21(26)24-12-10-22(11-13-24)17-7-14-30(27,28)16-17/h1-2,5-6,17H,3-4,7-16H2