tert-butyl N-[[4-[2-(phenylmethylsulfanyl)ethylcarbamoyl]phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-[2-(phenylmethylsulfanyl)ethylcarbamoyl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-(2-benzylsulfanylethylcarbamoyl)phenyl]methyl]carbamate CAS Name: N-[[4-[oxo-[2-(phenylmethylthio)ethylamino]methyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-(2-benzylsulfanylethylcarbamoyl)phenyl]methyl]carbamate Traditional Name: N-[4-[2-(benzylthio)ethylcarbamoyl]benzyl]carbamic acid tert-butyl ester Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NCCSCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NCCSCC2=CC=CC=C2

InChI

InChI=1S/C22H28N2O3S/c1-22(2,3)27-21(26)24-15-17-9-11-19(12-10-17)20(25)23-13-14-28-16-18-7-5-4-6-8-18/h4-12H,13-16H2,1-3H3,(H,23,25)(H,24,26)