tert-butyl N-[3-(cyclohexylmethylsulfanyl)-1-oxidanylidene-1-[(6-phenoxypyridin-3-yl)amino]propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[3-(cyclohexylmethylsulfanyl)-1-oxidanylidene-1-[(6-phenoxypyridin-3-yl)amino]propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-(cyclohexylmethylsulfanylmethyl)-2-oxo-2-[(6-phenoxy-3-pyridyl)amino]ethyl]carbamate CAS Name: N-[3-(cyclohexylmethylthio)-1-oxo-1-[(6-phenoxy-3-pyridinyl)amino]propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(cyclohexylmethylsulfanyl)-1-oxo-1-[(6-phenoxypyridin-3-yl)amino]propan-2-yl]carbamate Traditional Name: N-[1-[(cyclohexylmethylthio)methyl]-2-keto-2-[(6-phenoxy-3-pyridyl)amino]ethyl]carbamic acid tert-butyl ester Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSCC1CCCCC1)C(=O)NC2=CN=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSCC1CCCCC1)C(=O)NC2=CN=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C26H35N3O4S/c1-26(2,3)33-25(31)29-22(18-34-17-19-10-6-4-7-11-19)24(30)28-20-14-15-23(27-16-20)32-21-12-8-5-9-13-21/h5,8-9,12-16,19,22H,4,6-7,10-11,17-18H2,1-3H3,(H,28,30)(H,29,31)