2-methyl-1-[4-[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylphenyl]carbonylpiperazin-1-yl]-2-phenyl-propan-1-one

Systemtic Name: 2-methyl-1-[4-[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylphenyl]carbonylpiperazin-1-yl]-2-phenyl-propan-1-one Openeye Name: 2-methyl-1-[4-[2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoyl]piperazin-1-yl]-2-phenyl-propan-1-one CAS Name: 2-methyl-1-[4-[oxo-[2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]phenyl]methyl]-1-piperazinyl]-2-phenyl-1-propanone IUPAC Name: 2-methyl-1-[4-[2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoyl]piperazin-1-yl]-2-phenylpropan-1-one Traditional Name: 1-[4-[2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoyl]piperazino]-2-methyl-2-phenyl-propan-1-one Formula: C27H33N3O3S MolecularWeight: 479.63422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)N4CCCC4

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)N4CCCC4

InChI

InChI=1S/C27H33N3O3S/c1-27(2,21-10-4-3-5-11-21)26(33)30-18-16-29(17-19-30)25(32)22-12-6-7-13-23(22)34-20-24(31)28-14-8-9-15-28/h3-7,10-13H,8-9,14-20H2,1-2H3