1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one

Systemtic Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one Openeye Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one CAS Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]-2-[(4-nitrophenyl)thio]-1-propanone IUPAC Name: 1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(4-nitrophenyl)sulfanylpropan-1-one Traditional Name: 1-[4-(2,5-dimethoxybenzyl)piperazino]-2-[(4-nitrophenyl)thio]propan-1-one Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=C(C=CC(=C2)OC)OC)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)N1CCN(CC1)CC2=C(C=CC(=C2)OC)OC)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O5S/c1-16(31-20-7-4-18(5-8-20)25(27)28)22(26)24-12-10-23(11-13-24)15-17-14-19(29-2)6-9-21(17)30-3/h4-9,14,16H,10-13,15H2,1-3H3