tert-butyl 4-[[3-(cyclohexylmethylsulfanyl)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]carbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[3-(cyclohexylmethylsulfanyl)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]carbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[1-(cyclohexylmethylsulfanylmethyl)-2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl]carbamoyl]piperidine-1-carboxylate CAS Name: 4-[[[3-(cyclohexylmethylthio)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]amino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-(cyclohexylmethylsulfanyl)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]carbamoyl]piperidine-1-carboxylate Traditional Name: 4-[[1-[(cyclohexylmethylthio)methyl]-2-keto-2-(p-anisylamino)ethyl]carbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H45N3O5S MolecularWeight: 547.7497

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC(CSCC2CCCCC2)C(=O)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NC(CSCC2CCCCC2)C(=O)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C29H45N3O5S/c1-29(2,3)37-28(35)32-16-14-23(15-17-32)26(33)31-25(20-38-19-22-8-6-5-7-9-22)27(34)30-18-21-10-12-24(36-4)13-11-21/h10-13,22-23,25H,5-9,14-20H2,1-4H3,(H,30,34)(H,31,33)