(2-methoxy-5-piperidin-1-ylcarbothioyl-phenyl) 3-phenylpropanoate

Systemtic Name: (2-methoxy-5-piperidin-1-ylcarbothioyl-phenyl) 3-phenylpropanoate Openeye Name: [2-methoxy-5-(piperidine-1-carbothioyl)phenyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [2-methoxy-5-[1-piperidinyl(sulfanylidene)methyl]phenyl] ester IUPAC Name: [2-methoxy-5-(piperidine-1-carbothioyl)phenyl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [2-methoxy-5-(piperidine-1-carbothioyl)phenyl] ester Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=S)N2CCCCC2)OC(=O)CCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=S)N2CCCCC2)OC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C22H25NO3S/c1-25-19-12-11-18(22(27)23-14-6-3-7-15-23)16-20(19)26-21(24)13-10-17-8-4-2-5-9-17/h2,4-5,8-9,11-12,16H,3,6-7,10,13-15H2,1H3