4-azanyl-N-[(2R)-3-(cyclohexylmethylsulfanyl)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]cyclohexane-1-carboxamide

Systemtic Name: 4-azanyl-N-[(2R)-3-(cyclohexylmethylsulfanyl)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]cyclohexane-1-carboxamide Openeye Name: 4-amino-N-[(1R)-1-(cyclohexylmethylsulfanylmethyl)-2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl]cyclohexanecarboxamide CAS Name: 4-amino-N-[(2R)-3-(cyclohexylmethylthio)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1-cyclohexanecarboxamide IUPAC Name: 4-amino-N-[(2R)-3-(cyclohexylmethylsulfanyl)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]cyclohexane-1-carboxamide Traditional Name: 4-amino-N-[(1R)-1-[(cyclohexylmethylthio)methyl]-2-keto-2-(p-anisylamino)ethyl]cyclohexanecarboxamide Formula: C25H39N3O3S MolecularWeight: 461.66046

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C(CSCC2CCCCC2)NC(=O)C3CCC(CC3)N

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)[C@H](CSCC2CCCCC2)NC(=O)C3CCC(CC3)N

InChI

InChI=1S/C25H39N3O3S/c1-31-22-13-7-18(8-14-22)15-27-25(30)23(17-32-16-19-5-3-2-4-6-19)28-24(29)20-9-11-21(26)12-10-20/h7-8,13-14,19-21,23H,2-6,9-12,15-17,26H2,1H3,(H,27,30)(H,28,29)/t20?,21?,23-/m0/s1