1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one

Systemtic Name: 1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one Openeye Name: 1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-(4-nitrophenyl)sulfanyl-propan-1-one CAS Name: 1-[4-[(4-ethoxyphenyl)methyl]-1-piperazinyl]-2-[(4-nitrophenyl)thio]-1-propanone IUPAC Name: 1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-(4-nitrophenyl)sulfanylpropan-1-one Traditional Name: 1-[4-(4-ethoxybenzyl)piperazino]-2-[(4-nitrophenyl)thio]propan-1-one Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)CN2CCN(CC2)C(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O4S/c1-3-29-20-8-4-18(5-9-20)16-23-12-14-24(15-13-23)22(26)17(2)30-21-10-6-19(7-11-21)25(27)28/h4-11,17H,3,12-16H2,1-2H3