2-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]carbonylphenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]carbonylphenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[2-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-oxomethyl]phenyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]phenyl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1-carbonyl]phenyl]thio]-1-pyrrolidino-ethanone Formula: C25H28N4O2S2 MolecularWeight: 480.64542

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)N3CCN(CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H28N4O2S2/c30-24(28-11-5-6-12-28)18-32-21-9-3-1-7-19(21)25(31)29-15-13-27(14-16-29)17-23-26-20-8-2-4-10-22(20)33-23/h1-4,7-10H,5-6,11-18H2