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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(CCCC(C(C1)N2CCC2)NC(=S)CC3=CC=C(C=C3)C)OCC

Isomeric SMILES

CCOC1(CCCC(C(C1)N2CCC2)NC(=S)CC3=CC=C(C=C3)C)OCC

InChI

InChI=1S/C23H36N2O2S/c1-4-26-23(27-5-2)13-6-8-20(21(17-23)25-14-7-15-25)24-22(28)16-19-11-9-18(3)10-12-19/h9-12,20-21H,4-8,13-17H2,1-3H3,(H,24,28)