2-(4-ethoxyphenyl)sulfanyl-1-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(4-ethoxyphenyl)sulfanyl-1-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]ethanone Openeye Name: 2-(4-ethoxyphenyl)sulfanyl-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone CAS Name: 2-[(4-ethoxyphenyl)thio]-1-[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 2-(4-ethoxyphenyl)sulfanyl-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone Traditional Name: 1-(4-m-anisoylpiperazino)-2-(p-phenetylthio)ethanone Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)N2CCN(CC2)C(=O)C3=CC(=CC=C3)OC

InChI

InChI=1S/C22H26N2O4S/c1-3-28-18-7-9-20(10-8-18)29-16-21(25)23-11-13-24(14-12-23)22(26)17-5-4-6-19(15-17)27-2/h4-10,15H,3,11-14,16H2,1-2H3