N-(2-ethylphenyl)-2-[4-[2-(thiophen-3-ylmethylsulfanyl)phenyl]carbonylpiperazin-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[2-(thiophen-3-ylmethylsulfanyl)phenyl]carbonylpiperazin-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[2-(3-thienylmethylsulfanyl)benzoyl]piperazin-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[oxo-[2-(3-thiophenylmethylthio)phenyl]methyl]-1-piperazinyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[2-(thiophen-3-ylmethylsulfanyl)benzoyl]piperazin-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[2-(3-thenylthio)benzoyl]piperazino]acetamide Formula: C26H29N3O2S2 MolecularWeight: 479.65736

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)C(=O)C3=CC=CC=C3SCC4=CSC=C4

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CN2CCN(CC2)C(=O)C3=CC=CC=C3SCC4=CSC=C4

InChI

InChI=1S/C26H29N3O2S2/c1-2-21-7-3-5-9-23(21)27-25(30)17-28-12-14-29(15-13-28)26(31)22-8-4-6-10-24(22)33-19-20-11-16-32-18-20/h3-11,16,18H,2,12-15,17,19H2,1H3,(H,27,30)