tert-butyl N-[3-[2-(phenylmethylsulfanyl)ethylcarbamoyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[3-[2-(phenylmethylsulfanyl)ethylcarbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[3-(2-benzylsulfanylethylcarbamoyl)phenyl]carbamate CAS Name: N-[3-[oxo-[2-(phenylmethylthio)ethylamino]methyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(2-benzylsulfanylethylcarbamoyl)phenyl]carbamate Traditional Name: N-[3-[2-(benzylthio)ethylcarbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)NCCSCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC(=C1)C(=O)NCCSCC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O3S/c1-21(2,3)26-20(25)23-18-11-7-10-17(14-18)19(24)22-12-13-27-15-16-8-5-4-6-9-16/h4-11,14H,12-13,15H2,1-3H3,(H,22,24)(H,23,25)