tert-butyl N-[(2R)-3-methylsulfanyl-1-oxidanylidene-1-[4-(3-phenylpropyl)piperazin-1-yl]propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2R)-3-methylsulfanyl-1-oxidanylidene-1-[4-(3-phenylpropyl)piperazin-1-yl]propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-1-(methylsulfanylmethyl)-2-oxo-2-[4-(3-phenylpropyl)piperazin-1-yl]ethyl]carbamate CAS Name: N-[(2R)-3-(methylthio)-1-oxo-1-[4-(3-phenylpropyl)-1-piperazinyl]propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-3-methylsulfanyl-1-oxo-1-[4-(3-phenylpropyl)piperazin-1-yl]propan-2-yl]carbamate Traditional Name: N-[(1R)-2-keto-1-[(methylthio)methyl]-2-[4-(3-phenylpropyl)piperazino]ethyl]carbamic acid tert-butyl ester Formula: C22H35N3O3S MolecularWeight: 421.5966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSC)C(=O)N1CCN(CC1)CCCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CSC)C(=O)N1CCN(CC1)CCCC2=CC=CC=C2

InChI

InChI=1S/C22H35N3O3S/c1-22(2,3)28-21(27)23-19(17-29-4)20(26)25-15-13-24(14-16-25)12-8-11-18-9-6-5-7-10-18/h5-7,9-10,19H,8,11-17H2,1-4H3,(H,23,27)/t19-/m0/s1