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

Systemtic Name: tert-butyl N-[(2R)-3-methylsulfanyl-1-oxidanylidene-1-[4-(3-oxidanyl-3-phenyl-propyl)piperazin-1-yl]propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1R)-2-[4-(3-hydroxy-3-phenyl-propyl)piperazin-1-yl]-1-(methylsulfanylmethyl)-2-oxo-ethyl]carbamate CAS Name: N-[(2R)-1-[4-(3-hydroxy-3-phenylpropyl)-1-piperazinyl]-3-(methylthio)-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2R)-1-[4-(3-hydroxy-3-phenylpropyl)piperazin-1-yl]-3-methylsulfanyl-1-oxopropan-2-yl]carbamate Traditional Name: N-[(1R)-2-[4-(3-hydroxy-3-phenyl-propyl)piperazino]-2-keto-1-[(methylthio)methyl]ethyl]carbamic acid tert-butyl ester Formula: C22H35N3O4S MolecularWeight: 437.596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N3O4S/c1-22(2,3)29-21(28)23-18(16-30-4)20(27)25-14-12-24(13-15-25)11-10-19(26)17-8-6-5-7-9-17/h5-9,18-19,26H,10-16H2,1-4H3,(H,23,28)/t18-,19?/m0/s1