tert-butyl N-[1-oxidanylidene-1-[(phenylmethyl)amino]-3-(phenylmethylsulfanyl)propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-oxidanylidene-1-[(phenylmethyl)amino]-3-(phenylmethylsulfanyl)propan-2-yl]carbamate Openeye Name: tert-butyl N-[2-(benzylamino)-1-(benzylsulfanylmethyl)-2-oxo-ethyl]carbamate CAS Name: N-[1-oxo-1-[(phenylmethyl)amino]-3-(phenylmethylthio)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-(benzylamino)-3-benzylsulfanyl-1-oxopropan-2-yl]carbamate Traditional Name: N-[2-(benzylamino)-1-[(benzylthio)methyl]-2-keto-ethyl]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)NC(CSCC1=CC=CC=C1)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSCC1=CC=CC=C1)C(=O)NCC2=CC=CC=C2

InChI

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