3-[4-[[1-(2-methylsulfanylphenyl)piperazin-2-yl]carbonylamino]cyclohexyl]propanoic acid

Systemtic Name: 3-[4-[[1-(2-methylsulfanylphenyl)piperazin-2-yl]carbonylamino]cyclohexyl]propanoic acid Openeye Name: 3-[4-[[1-(2-methylsulfanylphenyl)piperazine-2-carbonyl]amino]cyclohexyl]propanoic acid CAS Name: 3-[4-[[[1-[2-(methylthio)phenyl]-2-piperazinyl]-oxomethyl]amino]cyclohexyl]propanoic acid IUPAC Name: 3-[4-[[1-(2-methylsulfanylphenyl)piperazine-2-carbonyl]amino]cyclohexyl]propanoic acid Traditional Name: 3-[4-[[1-[2-(methylthio)phenyl]piperazine-2-carbonyl]amino]cyclohexyl]propionic acid Formula: C21H31N3O3S MolecularWeight: 405.55414

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1N2CCNCC2C(=O)NC3CCC(CC3)CCC(=O)O

Isomeric SMILES

CSC1=CC=CC=C1N2CCNCC2C(=O)NC3CCC(CC3)CCC(=O)O

InChI

InChI=1S/C21H31N3O3S/c1-28-19-5-3-2-4-17(19)24-13-12-22-14-18(24)21(27)23-16-9-6-15(7-10-16)8-11-20(25)26/h2-5,15-16,18,22H,6-14H2,1H3,(H,23,27)(H,25,26)