2-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]carbonylphenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]carbonylphenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[2-[[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]-oxomethyl]phenyl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]sulfanyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[2-[4-(2,5-dimethoxybenzyl)piperazine-1-carbonyl]phenyl]thio]-1-pyrrolidino-ethanone Formula: C26H33N3O4S MolecularWeight: 483.62292

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)N4CCCC4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)N4CCCC4

InChI

InChI=1S/C26H33N3O4S/c1-32-21-9-10-23(33-2)20(17-21)18-27-13-15-29(16-14-27)26(31)22-7-3-4-8-24(22)34-19-25(30)28-11-5-6-12-28/h3-4,7-10,17H,5-6,11-16,18-19H2,1-2H3