S-[2-[(triphenylmethyl)amino]ethyl] N-(2,4-dimethylpentan-3-yl)carbamothioate

Systemtic Name: S-[2-[(triphenylmethyl)amino]ethyl] N-(2,4-dimethylpentan-3-yl)carbamothioate Openeye Name: S-[2-(tritylamino)ethyl] N-(1-isopropyl-2-methyl-propyl)carbamothioate CAS Name: N-(2,4-dimethylpentan-3-yl)carbamothioic acid S-[2-[(triphenylmethyl)amino]ethyl] ester IUPAC Name: S-[2-(tritylamino)ethyl] N-(2,4-dimethylpentan-3-yl)carbamothioate Traditional Name: N-(1-isopropyl-2-methyl-propyl)thiocarbamic acid S-[2-(tritylamino)ethyl] ester Formula: C29H36N2OS MolecularWeight: 460.67394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(C)C)NC(=O)SCCNC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C(C(C)C)NC(=O)SCCNC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C29H36N2OS/c1-22(2)27(23(3)4)31-28(32)33-21-20-30-29(24-14-8-5-9-15-24,25-16-10-6-11-17-25)26-18-12-7-13-19-26/h5-19,22-23,27,30H,20-21H2,1-4H3,(H,31,32)