N-[5-(4-ethylpiperazin-1-yl)carbonyl-2-(4-methylphenyl)sulfanyl-phenyl]ethanamide

Systemtic Name: N-[5-(4-ethylpiperazin-1-yl)carbonyl-2-(4-methylphenyl)sulfanyl-phenyl]ethanamide Openeye Name: N-[5-(4-ethylpiperazine-1-carbonyl)-2-(p-tolylsulfanyl)phenyl]acetamide CAS Name: N-[5-[(4-ethyl-1-piperazinyl)-oxomethyl]-2-[(4-methylphenyl)thio]phenyl]acetamide IUPAC Name: N-[5-(4-ethylpiperazine-1-carbonyl)-2-(4-methylphenyl)sulfanylphenyl]acetamide Traditional Name: N-[5-(4-ethylpiperazine-1-carbonyl)-2-(p-tolylthio)phenyl]acetamide Formula: C22H27N3O2S MolecularWeight: 397.53368

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)C)NC(=O)C

Isomeric SMILES

CCN1CCN(CC1)C(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)C)NC(=O)C

InChI

InChI=1S/C22H27N3O2S/c1-4-24-11-13-25(14-12-24)22(27)18-7-10-21(20(15-18)23-17(3)26)28-19-8-5-16(2)6-9-19/h5-10,15H,4,11-14H2,1-3H3,(H,23,26)