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

Systemtic Name: N-(2-ethylphenyl)-2-[4-[3-(methylsulfanylmethyl)phenyl]carbonylpiperazin-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[3-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[[3-[(methylthio)methyl]phenyl]-oxomethyl]-1-piperazinyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[3-(methylsulfanylmethyl)benzoyl]piperazin-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[3-[(methylthio)methyl]benzoyl]piperazino]acetamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O2S/c1-3-19-8-4-5-10-21(19)24-22(27)16-25-11-13-26(14-12-25)23(28)20-9-6-7-18(15-20)17-29-2/h4-10,15H,3,11-14,16-17H2,1-2H3,(H,24,27)