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

Systemtic Name: tert-butyl N-[3-(cyclohexylmethylsulfanyl)-1-oxidanylidene-1-[(6-phenoxypyridin-3-yl)methylamino]propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-(cyclohexylmethylsulfanylmethyl)-2-oxo-2-[(6-phenoxy-3-pyridyl)methylamino]ethyl]carbamate CAS Name: N-[3-(cyclohexylmethylthio)-1-oxo-1-[(6-phenoxy-3-pyridinyl)methylamino]propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(cyclohexylmethylsulfanyl)-1-oxo-1-[(6-phenoxypyridin-3-yl)methylamino]propan-2-yl]carbamate Traditional Name: N-[1-[(cyclohexylmethylthio)methyl]-2-keto-2-[(6-phenoxy-3-pyridyl)methylamino]ethyl]carbamic acid tert-butyl ester Formula: C27H37N3O4S MolecularWeight: 499.66538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSCC1CCCCC1)C(=O)NCC2=CN=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSCC1CCCCC1)C(=O)NCC2=CN=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C27H37N3O4S/c1-27(2,3)34-26(32)30-23(19-35-18-20-10-6-4-7-11-20)25(31)29-17-21-14-15-24(28-16-21)33-22-12-8-5-9-13-22/h5,8-9,12-16,20,23H,4,6-7,10-11,17-19H2,1-3H3,(H,29,31)(H,30,32)