[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone

Systemtic Name: [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Openeye Name: [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(2-phenylsulfanyl-3-pyridyl)methanone CAS Name: [4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]-[2-(phenylthio)-3-pyridinyl]methanone IUPAC Name: [4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(2-phenylsulfanylpyridin-3-yl)methanone Traditional Name: [4-(2,5-dimethoxybenzyl)piperazino]-[2-(phenylthio)-3-pyridyl]methanone Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3S/c1-30-20-10-11-23(31-2)19(17-20)18-27-13-15-28(16-14-27)25(29)22-9-6-12-26-24(22)32-21-7-4-3-5-8-21/h3-12,17H,13-16,18H2,1-2H3