N-[2-(azetidin-1-yl)-3,3-diethoxy-cycloheptyl]-2-(4-methylphenyl)ethanethioamide

Systemtic Name: N-[2-(azetidin-1-yl)-3,3-diethoxy-cycloheptyl]-2-(4-methylphenyl)ethanethioamide Openeye Name: N-[2-(azetidin-1-yl)-3,3-diethoxy-cycloheptyl]-2-(p-tolyl)thioacetamide CAS Name: N-[2-(1-azetidinyl)-3,3-diethoxycycloheptyl]-2-(4-methylphenyl)ethanethioamide IUPAC Name: N-[2-(azetidin-1-yl)-3,3-diethoxycycloheptyl]-2-(4-methylphenyl)ethanethioamide Traditional Name: N-[2-(azetidin-1-yl)-3,3-diethoxy-cycloheptyl]-2-(p-tolyl)thioacetamide Formula: C23H36N2O2S MolecularWeight: 404.60914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(CCCCC(C1N2CCC2)NC(=S)CC3=CC=C(C=C3)C)OCC

Isomeric SMILES

CCOC1(CCCCC(C1N2CCC2)NC(=S)CC3=CC=C(C=C3)C)OCC

InChI

InChI=1S/C23H36N2O2S/c1-4-26-23(27-5-2)14-7-6-9-20(22(23)25-15-8-16-25)24-21(28)17-19-12-10-18(3)11-13-19/h10-13,20,22H,4-9,14-17H2,1-3H3,(H,24,28)