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

Systemtic Name: tert-butyl N-[3-(cyclohexylmethylsulfanyl)-1-[(1-methylpiperidin-4-yl)amino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[1-(cyclohexylmethylsulfanylmethyl)-2-[(1-methyl-4-piperidyl)amino]-2-oxo-ethyl]carbamate CAS Name: N-[3-(cyclohexylmethylthio)-1-[(1-methyl-4-piperidinyl)amino]-1-oxopropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(cyclohexylmethylsulfanyl)-1-[(1-methylpiperidin-4-yl)amino]-1-oxopropan-2-yl]carbamate Traditional Name: N-[1-[(cyclohexylmethylthio)methyl]-2-keto-2-[(1-methyl-4-piperidyl)amino]ethyl]carbamic acid tert-butyl ester Formula: C21H39N3O3S MolecularWeight: 413.61766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H39N3O3S/c1-21(2,3)27-20(26)23-18(15-28-14-16-8-6-5-7-9-16)19(25)22-17-10-12-24(4)13-11-17/h16-18H,5-15H2,1-4H3,(H,22,25)(H,23,26)