ethyl N-[2-(aminomethyl)-6-cyclopentylsulfanyl-1-(3-methylbutanoyl)-2-propyl-cyclohexyl]carbamate

Systemtic Name: ethyl N-[2-(aminomethyl)-6-cyclopentylsulfanyl-1-(3-methylbutanoyl)-2-propyl-cyclohexyl]carbamate Openeye Name: ethyl N-[2-(aminomethyl)-6-cyclopentylsulfanyl-1-(3-methylbutanoyl)-2-propyl-cyclohexyl]carbamate CAS Name: N-[2-(aminomethyl)-6-(cyclopentylthio)-1-(3-methyl-1-oxobutyl)-2-propylcyclohexyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[2-(aminomethyl)-6-cyclopentylsulfanyl-1-(3-methylbutanoyl)-2-propylcyclohexyl]carbamate Traditional Name: N-[2-(aminomethyl)-6-(cyclopentylthio)-1-isovaleryl-2-propyl-cyclohexyl]carbamic acid ethyl ester Formula: C23H42N2O3S MolecularWeight: 426.65618

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CCCC(C1(C(=O)CC(C)C)NC(=O)OCC)SC2CCCC2)CN

Isomeric SMILES

CCCC1(CCCC(C1(C(=O)CC(C)C)NC(=O)OCC)SC2CCCC2)CN

InChI

InChI=1S/C23H42N2O3S/c1-5-13-22(16-24)14-9-12-20(29-18-10-7-8-11-18)23(22,19(26)15-17(3)4)25-21(27)28-6-2/h17-18,20H,5-16,24H2,1-4H3,(H,25,27)