S-[3-[[1-(2-ethylbutyl)cyclohexyl]carbonylamino]naphthalen-2-yl] 2-methylpropanethioate

Systemtic Name: S-[3-[[1-(2-ethylbutyl)cyclohexyl]carbonylamino]naphthalen-2-yl] 2-methylpropanethioate Openeye Name: S-[3-[[1-(2-ethylbutyl)cyclohexanecarbonyl]amino]-2-naphthyl] 2-methylpropanethioate CAS Name: 2-methylpropanethioic acid S-[3-[[[1-(2-ethylbutyl)cyclohexyl]-oxomethyl]amino]-2-naphthalenyl] ester IUPAC Name: S-[3-[[1-(2-ethylbutyl)cyclohexanecarbonyl]amino]naphthalen-2-yl] 2-methylpropanethioate Traditional Name: 2-methylpropanethioic acid S-[3-[[1-(2-ethylbutyl)cyclohexanecarbonyl]amino]-2-naphthyl] ester Formula: C27H37NO2S MolecularWeight: 439.65318

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)CC1(CCCCC1)C(=O)NC2=CC3=CC=CC=C3C=C2SC(=O)C(C)C

Isomeric SMILES

CCC(CC)CC1(CCCCC1)C(=O)NC2=CC3=CC=CC=C3C=C2SC(=O)C(C)C

InChI

InChI=1S/C27H37NO2S/c1-5-20(6-2)18-27(14-10-7-11-15-27)26(30)28-23-16-21-12-8-9-13-22(21)17-24(23)31-25(29)19(3)4/h8-9,12-13,16-17,19-20H,5-7,10-11,14-15,18H2,1-4H3,(H,28,30)