1-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one

Systemtic Name: 1-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one Openeye Name: 1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one CAS Name: 1-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]-2-[(4-nitrophenyl)thio]-1-propanone IUPAC Name: 1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-(4-nitrophenyl)sulfanylpropan-1-one Traditional Name: 2-[(4-nitrophenyl)thio]-1-(4-veratroylpiperazino)propan-1-one Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O6S/c1-15(32-18-7-5-17(6-8-18)25(28)29)21(26)23-10-12-24(13-11-23)22(27)16-4-9-19(30-2)20(14-16)31-3/h4-9,14-15H,10-13H2,1-3H3