tert-butyl N-[4-cyclohexylsulfanyl-1-oxidanylidene-1-[[1-(phenylmethyl)piperidin-4-yl]amino]butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[4-cyclohexylsulfanyl-1-oxidanylidene-1-[[1-(phenylmethyl)piperidin-4-yl]amino]butan-2-yl]carbamate Openeye Name: tert-butyl N-[1-[(1-benzyl-4-piperidyl)carbamoyl]-3-cyclohexylsulfanyl-propyl]carbamate CAS Name: N-[4-(cyclohexylthio)-1-oxo-1-[[1-(phenylmethyl)-4-piperidinyl]amino]butan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[(1-benzylpiperidin-4-yl)amino]-4-cyclohexylsulfanyl-1-oxobutan-2-yl]carbamate Traditional Name: N-[1-[(1-benzyl-4-piperidyl)carbamoyl]-3-(cyclohexylthio)propyl]carbamic acid tert-butyl ester Formula: C27H43N3O3S MolecularWeight: 489.71362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCSC1CCCCC1)C(=O)NC2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC(CCSC1CCCCC1)C(=O)NC2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C27H43N3O3S/c1-27(2,3)33-26(32)29-24(16-19-34-23-12-8-5-9-13-23)25(31)28-22-14-17-30(18-15-22)20-21-10-6-4-7-11-21/h4,6-7,10-11,22-24H,5,8-9,12-20H2,1-3H3,(H,28,31)(H,29,32)