N-[3-(cyclohexylmethylsulfanyl)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]cycloheptanecarboxamide

Systemtic Name: N-[3-(cyclohexylmethylsulfanyl)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]cycloheptanecarboxamide Openeye Name: N-[1-(cyclohexylmethylsulfanylmethyl)-2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl]cycloheptanecarboxamide CAS Name: N-[3-(cyclohexylmethylthio)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]cycloheptanecarboxamide IUPAC Name: N-[3-(cyclohexylmethylsulfanyl)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]cycloheptanecarboxamide Traditional Name: N-[1-[(cyclohexylmethylthio)methyl]-2-keto-2-(p-anisylamino)ethyl]cycloheptanecarboxamide Formula: C26H40N2O3S MolecularWeight: 460.6724

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C(CSCC2CCCCC2)NC(=O)C3CCCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C(CSCC2CCCCC2)NC(=O)C3CCCCCC3

InChI

InChI=1S/C26H40N2O3S/c1-31-23-15-13-20(14-16-23)17-27-26(30)24(19-32-18-21-9-5-4-6-10-21)28-25(29)22-11-7-2-3-8-12-22/h13-16,21-22,24H,2-12,17-19H2,1H3,(H,27,30)(H,28,29)