O-[2-[[1-(2-ethylbutyl)cyclohexyl]carbonylamino]phenyl] 1-ethanoylpiperidine-4-carbothioate

Systemtic Name: O-[2-[[1-(2-ethylbutyl)cyclohexyl]carbonylamino]phenyl] 1-ethanoylpiperidine-4-carbothioate Openeye Name: O-[2-[[1-(2-ethylbutyl)cyclohexanecarbonyl]amino]phenyl] 1-acetylpiperidine-4-carbothioate CAS Name: 1-acetyl-4-piperidinecarbothioic acid O-[2-[[[1-(2-ethylbutyl)cyclohexyl]-oxomethyl]amino]phenyl] ester IUPAC Name: O-[2-[[1-(2-ethylbutyl)cyclohexanecarbonyl]amino]phenyl] 1-acetylpiperidine-4-carbothioate Traditional Name: 1-acetylpiperidine-4-carbothioic acid O-[2-[[1-(2-ethylbutyl)cyclohexanecarbonyl]amino]phenyl] ester Formula: C27H40N2O3S MolecularWeight: 472.6831

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CC1(CCCCC1)C(=O)NC2=CC=CC=C2OC(=S)C3CCN(CC3)C(=O)C

Isomeric SMILES

CCC(CC)CC1(CCCCC1)C(=O)NC2=CC=CC=C2OC(=S)C3CCN(CC3)C(=O)C

InChI

InChI=1S/C27H40N2O3S/c1-4-21(5-2)19-27(15-9-6-10-16-27)26(31)28-23-11-7-8-12-24(23)32-25(33)22-13-17-29(18-14-22)20(3)30/h7-8,11-12,21-22H,4-6,9-10,13-19H2,1-3H3,(H,28,31)