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

Systemtic Name: 2-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]carbonylphenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[2-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[2-[[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-oxomethyl]phenyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[2-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[2-[4-(1,3-benzothiazol-2-yl)piperidine-1-carbonyl]phenyl]thio]-1-pyrrolidino-ethanone Formula: C25H27N3O2S2 MolecularWeight: 465.63078

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCN(C1)C(=O)CSC2=CC=CC=C2C(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H27N3O2S2/c29-23(27-13-5-6-14-27)17-31-21-9-3-1-7-19(21)25(30)28-15-11-18(12-16-28)24-26-20-8-2-4-10-22(20)32-24/h1-4,7-10,18H,5-6,11-17H2