tert-butyl N-[3-(cyclohexylmethylsulfanyl)-1-oxidanylidene-1-[(1-phenylpiperidin-4-yl)amino]propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[3-(cyclohexylmethylsulfanyl)-1-oxidanylidene-1-[(1-phenylpiperidin-4-yl)amino]propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-(cyclohexylmethylsulfanylmethyl)-2-oxo-2-[(1-phenyl-4-piperidyl)amino]ethyl]carbamate CAS Name: N-[3-(cyclohexylmethylthio)-1-oxo-1-[(1-phenyl-4-piperidinyl)amino]propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(cyclohexylmethylsulfanyl)-1-oxo-1-[(1-phenylpiperidin-4-yl)amino]propan-2-yl]carbamate Traditional Name: N-[1-[(cyclohexylmethylthio)methyl]-2-keto-2-[(1-phenyl-4-piperidyl)amino]ethyl]carbamic acid tert-butyl ester Formula: C26H41N3O3S MolecularWeight: 475.68704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CSCC1CCCCC1)C(=O)NC2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC(CSCC1CCCCC1)C(=O)NC2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C26H41N3O3S/c1-26(2,3)32-25(31)28-23(19-33-18-20-10-6-4-7-11-20)24(30)27-21-14-16-29(17-15-21)22-12-8-5-9-13-22/h5,8-9,12-13,20-21,23H,4,6-7,10-11,14-19H2,1-3H3,(H,27,30)(H,28,31)