O-[3-(dimethylaminomethyl)tridecan-2-yl] N-(1-adamantyl)carbamothioate

Systemtic Name: O-[3-(dimethylaminomethyl)tridecan-2-yl] N-(1-adamantyl)carbamothioate Openeye Name: O-[2-(dimethylaminomethyl)-1-methyl-dodecyl] N-(1-adamantyl)carbamothioate CAS Name: N-(1-adamantyl)carbamothioic acid O-[3-(dimethylaminomethyl)tridecan-2-yl] ester IUPAC Name: O-[3-(dimethylaminomethyl)tridecan-2-yl] N-(1-adamantyl)carbamothioate Traditional Name: N-(1-adamantyl)thiocarbamic acid O-[2-(dimethylaminomethyl)-1-methyl-dodecyl] ester Formula: C27H50N2OS MolecularWeight: 450.7637

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CN(C)C)C(C)OC(=S)NC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CCCCCCCCCCC(CN(C)C)C(C)OC(=S)NC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C27H50N2OS/c1-5-6-7-8-9-10-11-12-13-25(20-29(3)4)21(2)30-26(31)28-27-17-22-14-23(18-27)16-24(15-22)19-27/h21-25H,5-20H2,1-4H3,(H,28,31)