(5-methyl-2-propan-2-yl-cyclohexyl) 2-[2-[2-(2-methylpropanoylamino)ethylcarbamoyl]phenyl]sulfanylethanoate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[2-[2-(2-methylpropanoylamino)ethylcarbamoyl]phenyl]sulfanylethanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[2-[2-(2-methylpropanoylamino)ethylcarbamoyl]phenyl]sulfanylacetate CAS Name: 2-[[2-[[2-[(2-methyl-1-oxopropyl)amino]ethylamino]-oxomethyl]phenyl]thio]acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-[2-[2-(2-methylpropanoylamino)ethylcarbamoyl]phenyl]sulfanylacetate Traditional Name: 2-[[2-[2-(isobutyrylamino)ethylcarbamoyl]phenyl]thio]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C25H38N2O4S MolecularWeight: 462.64522

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CSC2=CC=CC=C2C(=O)NCCNC(=O)C(C)C)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)CSC2=CC=CC=C2C(=O)NCCNC(=O)C(C)C)C(C)C

InChI

InChI=1S/C25H38N2O4S/c1-16(2)19-11-10-18(5)14-21(19)31-23(28)15-32-22-9-7-6-8-20(22)25(30)27-13-12-26-24(29)17(3)4/h6-9,16-19,21H,10-15H2,1-5H3,(H,26,29)(H,27,30)